CID 2773201

302912-02-3

Structural Information

Molecular Formula

C₁₀H₆F₆O₂

SMILES

C1=CC(=C(C=C1C(F)(F)F)CC(=O)O)C(F)(F)F

InChI

InChI=1S/C10H6F6O2/c11-9(12,13)6-1-2-7(10(14,15)16)5(3-6)4-8(17)18/h1-3H,4H2,(H,17,18)

InChIKey

AWTNYFICBCCTBY-UHFFFAOYSA-N

Compound name

2-[2,5-bis(trifluoromethyl)phenyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 272.0272 Da
Monoisotopic Mass: 3.2
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]+	273.03448	171.1
[M+Na]+	295.01642	175.5
[M+NH4]+	290.06102	172.5
[M+K]+	310.99036	172.1
[M-H]-	271.01992	163.6
[M+Na-2H]-	293.00187	170.7
[M]+	272.02665	169.2
[M]-	272.02775	169.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe