CID 139594567

Ns00011100

Structural Information

Molecular Formula
C10H4F16O2
SMILES
C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F)C(=O)O
InChI
InChI=1S/C10H4F16O2/c11-2(1-3(27)28)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)26/h2H,1H2,(H,27,28)
InChIKey
CMTAMCYWGPMWNV-UHFFFAOYSA-N
Compound name
3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.99557 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.00285 160.7
[M+Na]+ 482.98479 166.9
[M-H]- 458.98829 167.7
[M+NH4]+ 478.02939 169.8
[M+K]+ 498.95873 173.7
[M+H-H2O]+ 442.99283 151.9
[M+HCOO]- 504.99377 176.5
[M+CH3COO]- 519.00942 229.4
[M+Na-2H]- 480.97024 160.2
[M]+ 459.99502 158.0
[M]- 459.99612 158.0
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

No patent data available for this compound.