CID 11762324

Oxirane, (heptadecafluorooctyl)-

Structural Information

Molecular Formula
C10H3F17O
SMILES
C1C(O1)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H3F17O/c11-3(12,2-1-28-2)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h2H,1H2
InChIKey
WYQHIAPIABYQRN-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)oxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

461.99124 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.99852 165.4
[M+Na]+ 484.98046 174.6
[M-H]- 460.98396 153.0
[M+NH4]+ 480.02506 173.3
[M+K]+ 500.95440 171.4
[M+H-H2O]+ 444.98850 148.8
[M+HCOO]- 506.98944 189.7
[M+CH3COO]- 521.00509 232.6
[M+Na-2H]- 482.96591 170.8
[M]+ 461.99069 143.2
[M]- 461.99179 143.2
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

patents stripe