CID 15938553

Propan-2-yl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate

Structural Information

Molecular Formula
C12H7F17O4
SMILES
CC(C)OC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F
InChI
InChI=1S/C12H7F17O4/c1-3(2)31-4(30)5(13,8(17,18)19)32-12(28,29)7(16,10(23,24)25)33-11(26,27)6(14,15)9(20,21)22/h3H,1-2H3
InChIKey
BQAMBTZSSKIMFP-UHFFFAOYSA-N
Compound name
propan-2-yl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

538.00726 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.01454 175.3
[M+Na]+ 560.99648 181.0
[M-H]- 536.99998 185.4
[M+NH4]+ 556.04108 188.7
[M+K]+ 576.97042 189.5
[M+H-H2O]+ 521.00452 166.3
[M+HCOO]- 583.00546 192.4
[M+CH3COO]- 597.02111 241.1
[M+Na-2H]- 558.98193 174.5
[M]+ 538.00671 174.5
[M]- 538.00781 174.5
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.