CID 11094762

117169-31-0

Structural Information

Molecular Formula

C₇H₁₁FO₂

SMILES

C1CCC(CC1)(C(=O)O)F

InChI

InChI=1S/C7H11FO2/c8-7(6(9)10)4-2-1-3-5-7/h1-5H2,(H,9,10)

InChIKey

KPHYQWGKSTZREA-UHFFFAOYSA-N

Compound name

1-fluorocyclohexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 82
Patents: 146.07431 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	147.08159	129.3
[M+Na]+	169.06353	134.9
[M-H]-	145.06703	129.7
[M+NH4]+	164.10813	151.5
[M+K]+	185.03747	134.0
[M+H-H2O]+	129.07157	124.2
[M+HCOO]-	191.07251	147.2
[M+CH3COO]-	205.08816	170.0
[M+Na-2H]-	167.04898	134.3
[M]+	146.07376	122.9
[M]-	146.07486	122.9

Literature stripe

literature stripe

Patent stripe

patents stripe