CID 53416128

1250511-94-4

Structural Information

Molecular Formula

C₁₀H₁₀F₂O₂

SMILES

CC1=CC(=CC(=C1)C(C(=O)O)(F)F)C

InChI

InChI=1S/C10H10F2O2/c1-6-3-7(2)5-8(4-6)10(11,12)9(13)14/h3-5H,1-2H3,(H,13,14)

InChIKey

QVRSFSJLQAITHS-UHFFFAOYSA-N

Compound name

2-(3,5-dimethylphenyl)-2,2-difluoroacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 200.06488 Da
Monoisotopic Mass: 2.9
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]+	201.07216	138.1
[M+Na]+	223.05410	147.1
[M-H]-	199.05760	138.4
[M+NH4]+	218.09870	157.0
[M+K]+	239.02804	144.6
[M+H-H2O]+	183.06214	131.7
[M+HCOO]-	245.06308	156.8
[M+CH3COO]-	259.07873	183.8
[M+Na-2H]-	221.03955	142.3
[M]+	200.06433	136.0
[M]-	200.06543	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe