CID 107141

Ammonium 8-chlorohexadecafluoro-7-methyloctanoate

Structural Information

Molecular Formula
C9HClF16O2
SMILES
C(=O)(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)Cl)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C9HClF16O2/c10-8(22,23)3(13,9(24,25)26)5(16,17)7(20,21)6(18,19)4(14,15)2(11,12)1(27)28/h(H,27,28)
InChIKey
LBWRYZYPHNSXRY-UHFFFAOYSA-N
Compound name
7-[chloro(difluoro)methyl]-2,2,3,3,4,4,5,5,6,6,7,8,8,8-tetradecafluorooctanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

479.94095 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.94823 159.6
[M+Na]+ 502.93017 165.7
[M-H]- 478.93367 168.2
[M+NH4]+ 497.97477 169.2
[M+K]+ 518.90411 173.2
[M+H-H2O]+ 462.93821 168.0
[M+HCOO]- 524.93915 178.7
[M+CH3COO]- 538.95480 229.8
[M+Na-2H]- 500.91562 159.8
[M]+ 479.94040 160.8
[M]- 479.94150 160.8
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.