CID 84764732

1782869-64-0

Structural Information

Molecular Formula

C₇H₁₀F₂O₂

SMILES

CC(C1(CCC1)C(=O)O)(F)F

InChI

InChI=1S/C7H10F2O2/c1-6(8,9)7(5(10)11)3-2-4-7/h2-4H2,1H3,(H,10,11)

InChIKey

RQWBQSWJFTZBJD-UHFFFAOYSA-N

Compound name

1-(1,1-difluoroethyl)cyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 164.06488 Da
Monoisotopic Mass: 1.6
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]+	165.07216	133.6
[M+Na]+	187.05410	139.6
[M-H]-	163.05760	133.5
[M+NH4]+	182.09870	148.8
[M+K]+	203.02804	141.5
[M+H-H2O]+	147.06214	124.0
[M+HCOO]-	209.06308	149.9
[M+CH3COO]-	223.07873	178.3
[M+Na-2H]-	185.03955	138.6
[M]+	164.06433	138.0
[M]-	164.06543	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe