CID 2777316

3-(trifluoromethoxy)phenylacetic acid

Structural Information

Molecular Formula
C9H7F3O3
SMILES
C1=CC(=CC(=C1)OC(F)(F)F)CC(=O)O
InChI
InChI=1S/C9H7F3O3/c10-9(11,12)15-7-3-1-2-6(4-7)5-8(13)14/h1-4H,5H2,(H,13,14)
InChIKey
NFZQVADYFXRRPM-UHFFFAOYSA-N
Compound name
2-[3-(trifluoromethoxy)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

443
Patents

220.03473 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.04201 140.4
[M+Na]+ 243.02395 148.9
[M-H]- 219.02745 139.1
[M+NH4]+ 238.06855 158.1
[M+K]+ 258.99789 146.7
[M+H-H2O]+ 203.03199 132.6
[M+HCOO]- 265.03293 158.6
[M+CH3COO]- 279.04858 183.8
[M+Na-2H]- 241.00940 145.2
[M]+ 220.03418 137.7
[M]- 220.03528 137.7
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

patents stripe