CID 57036882

2-hydrido-perfluorodecanoic acid

Structural Information

Molecular Formula
C10H2F18O2
SMILES
C(C(=O)O)(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)F
InChI
InChI=1S/C10H2F18O2/c11-1(2(29)30)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)28/h1H,(H,29,30)
InChIKey
IORHNHBOXCYSCM-UHFFFAOYSA-N
Compound name
2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-octadecafluorodecanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

495.97675 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.98403 164.7
[M+Na]+ 518.96597 170.4
[M-H]- 494.96947 173.4
[M+NH4]+ 514.01057 174.8
[M+K]+ 534.93991 178.8
[M+H-H2O]+ 478.97401 154.9
[M+HCOO]- 540.97495 180.6
[M+CH3COO]- 554.99060 235.0
[M+Na-2H]- 516.95142 164.8
[M]+ 495.97620 162.0
[M]- 495.97730 162.0
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