CID 83479286

2-fluorocyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C7H11FO2
SMILES
C1CCC(C(C1)C(=O)O)F
InChI
InChI=1S/C7H11FO2/c8-6-4-2-1-3-5(6)7(9)10/h5-6H,1-4H2,(H,9,10)
InChIKey
HMVYPUQYKYGDNE-UHFFFAOYSA-N
Compound name
2-fluorocyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.07431 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.08159 128.5
[M+Na]+ 169.06353 134.2
[M-H]- 145.06703 129.0
[M+NH4]+ 164.10813 149.0
[M+K]+ 185.03747 133.1
[M+H-H2O]+ 129.07157 122.8
[M+HCOO]- 191.07251 146.5
[M+CH3COO]- 205.08816 171.5
[M+Na-2H]- 167.04898 131.8
[M]+ 146.07376 122.2
[M]- 146.07486 122.2
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