CID 21016272

2-(4,4-difluorocyclohexyl)propanoic acid

Structural Information

Molecular Formula
C9H14F2O2
SMILES
CC(C1CCC(CC1)(F)F)C(=O)O
InChI
InChI=1S/C9H14F2O2/c1-6(8(12)13)7-2-4-9(10,11)5-3-7/h6-7H,2-5H2,1H3,(H,12,13)
InChIKey
USXTVXJALWOBMF-UHFFFAOYSA-N
Compound name
2-(4,4-difluorocyclohexyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

192.09619 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.10347 140.1
[M+Na]+ 215.08541 145.7
[M-H]- 191.08891 139.2
[M+NH4]+ 210.13001 160.7
[M+K]+ 231.05935 144.4
[M+H-H2O]+ 175.09345 134.2
[M+HCOO]- 237.09439 155.3
[M+CH3COO]- 251.11004 180.8
[M+Na-2H]- 213.07086 141.7
[M]+ 192.09564 133.1
[M]- 192.09674 133.1
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