CID 118062857

1773511-56-0

Structural Information

Molecular Formula

C₉H₁₂F₂O₂

SMILES

C1CC2(CCC1(C2)C(F)F)C(=O)O

InChI

InChI=1S/C9H12F2O2/c10-6(11)8-1-3-9(5-8,4-2-8)7(12)13/h6H,1-5H2,(H,12,13)

InChIKey

GXFVCDJDKQBCFT-UHFFFAOYSA-N

Compound name

4-(difluoromethyl)bicyclo[2.2.1]heptane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 190.08054 Da
Monoisotopic Mass: 1.9
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]+	191.08782	143.2
[M+Na]+	213.06976	148.2
[M+NH4]+	208.11436	152.7
[M+K]+	229.04370	144.1
[M-H]-	189.07326	139.0
[M+Na-2H]-	211.05521	144.8
[M]+	190.07999	142.4
[M]-	190.08109	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe