CID 3530883

10-chloro-perfluorodecanoic acid

Structural Information

Molecular Formula
C10HClF18O2
SMILES
C(=O)(C(C(C(C(C(C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C10HClF18O2/c11-10(28,29)9(26,27)8(24,25)7(22,23)6(20,21)5(18,19)4(16,17)3(14,15)2(12,13)1(30)31/h(H,30,31)
InChIKey
MYZWFVHLWUGKHG-UHFFFAOYSA-N
Compound name
10-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-octadecafluorodecanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

529.93774 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.94502 166.5
[M+Na]+ 552.92696 171.8
[M-H]- 528.93046 176.2
[M+NH4]+ 547.97156 176.9
[M+K]+ 568.90090 181.3
[M+H-H2O]+ 512.93500 155.5
[M+HCOO]- 574.93594 185.0
[M+CH3COO]- 588.95159 238.2
[M+Na-2H]- 550.91241 166.9
[M]+ 529.93719 167.4
[M]- 529.93829 167.4
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.