CID 45084954

Trans-4-(fluoromethyl)cyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C8H13FO2
SMILES
C1CC(CCC1CF)C(=O)O
InChI
InChI=1S/C8H13FO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5H2,(H,10,11)
InChIKey
PLMBFNBIOFVPOP-UHFFFAOYSA-N
Compound name
4-(fluoromethyl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

160.08995 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.09723 133.2
[M+Na]+ 183.07917 138.4
[M-H]- 159.08267 133.4
[M+NH4]+ 178.12377 153.1
[M+K]+ 199.05311 137.0
[M+H-H2O]+ 143.08721 127.3
[M+HCOO]- 205.08815 150.8
[M+CH3COO]- 219.10380 174.6
[M+Na-2H]- 181.06462 135.9
[M]+ 160.08940 127.3
[M]- 160.09050 127.3
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