CID 15507524

1-(trifluoromethyl)cyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C8H11F3O2
SMILES
C1CCC(CC1)(C(=O)O)C(F)(F)F
InChI
InChI=1S/C8H11F3O2/c9-8(10,11)7(6(12)13)4-2-1-3-5-7/h1-5H2,(H,12,13)
InChIKey
VFSFTDFBHSFDEE-UHFFFAOYSA-N
Compound name
1-(trifluoromethyl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
Patents

196.07112 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.07840 138.9
[M+Na]+ 219.06034 144.8
[M-H]- 195.06384 136.7
[M+NH4]+ 214.10494 159.1
[M+K]+ 235.03428 143.2
[M+H-H2O]+ 179.06838 132.4
[M+HCOO]- 241.06932 152.8
[M+CH3COO]- 255.08497 178.2
[M+Na-2H]- 217.04579 143.1
[M]+ 196.07057 130.0
[M]- 196.07167 130.0
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

patents stripe