CID 137698670

2-(2-fluoro-6-(trifluoromethoxy)phenyl)acetic acid

Structural Information

Molecular Formula
C9H6F4O3
SMILES
C1=CC(=C(C(=C1)F)CC(=O)O)OC(F)(F)F
InChI
InChI=1S/C9H6F4O3/c10-6-2-1-3-7(16-9(11,12)13)5(6)4-8(14)15/h1-3H,4H2,(H,14,15)
InChIKey
HXFHDVRURMWZGJ-UHFFFAOYSA-N
Compound name
2-[2-fluoro-6-(trifluoromethoxy)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.0253 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.03258 142.6
[M+Na]+ 261.01452 152.0
[M-H]- 237.01802 140.3
[M+NH4]+ 256.05912 159.7
[M+K]+ 276.98846 149.4
[M+H-H2O]+ 221.02256 134.0
[M+HCOO]- 283.02350 159.7
[M+CH3COO]- 297.03915 187.9
[M+Na-2H]- 258.99997 146.1
[M]+ 238.02475 139.0
[M]- 238.02585 139.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.