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

6
Patents

192.09619 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.103466 140.1
[M+Na]+ 215.085408 145.7
[M-H]- 191.088914 139.2
[M+NH4]+ 210.130013 160.7
[M+K]+ 231.059348 144.4
[M+H-H2O]+ 175.093450 134.2
[M+HCOO]- 237.094391 155.3
[M+CH3COO]- 251.110041 180.8
[M+Na-2H]- 213.070856 141.7
[M]+ 192.09564142 133.1
[M]- 192.09673858 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