CID 19622777

937602-66-9

Structural Information

Molecular Formula

C₁₀H₁₀F₂O₃

SMILES

C1=CC(=CC=C1CC(=O)O)OCC(F)F

InChI

InChI=1S/C10H10F2O3/c11-9(12)6-15-8-3-1-7(2-4-8)5-10(13)14/h1-4,9H,5-6H2,(H,13,14)

InChIKey

OLRCBHYTSCVMKD-UHFFFAOYSA-N

Compound name

2-[4-(2,2-difluoroethoxy)phenyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 216.0598 Da
Monoisotopic Mass: 2.4
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]+	217.06708	142.6
[M+Na]+	239.04902	149.8
[M-H]-	215.05252	142.2
[M+NH4]+	234.09362	160.2
[M+K]+	255.02296	147.8
[M+H-H2O]+	199.05706	135.0
[M+HCOO]-	261.05800	162.1
[M+CH3COO]-	275.07365	185.2
[M+Na-2H]-	237.03447	145.4
[M]+	216.05925	141.4
[M]-	216.06035	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe