CID 165341603

2,3-difluoro-2,3-bis[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]butane

Structural Information

Molecular Formula
C16H12F22O4
SMILES
CC(C(C)(OC(C(C)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(OC(C(C)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F
InChI
InChI=1S/C16H12F22O4/c1-5(17,39-13(31,32)7(3,19)41-15(35,36)9(21,22)11(25,26)27)6(2,18)40-14(33,34)8(4,20)42-16(37,38)10(23,24)12(28,29)30/h1-4H3
InChIKey
WYBBHAXPZOVKNO-UHFFFAOYSA-N
Compound name
2,3-difluoro-2,3-bis[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]butane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

686.03845 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 687.04573 197.8
[M+Na]+ 709.02767 200.3
[M-H]- 685.03117 209.6
[M+NH4]+ 704.07227 211.4
[M+K]+ 725.00161 214.2
[M+H-H2O]+ 669.03571 184.0
[M+HCOO]- 731.03665 216.6
[M+CH3COO]- 745.05230 261.9
[M+Na-2H]- 707.01312 196.9
[M]+ 686.03790 199.4
[M]- 686.03900 199.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.