CID 53419096

2567495-31-0

Structural Information

Molecular Formula
C9H7ClF3NO2
SMILES
C1=C(C=C(C=C1C(F)(F)F)Cl)C(C(=O)O)N
InChI
InChI=1S/C9H7ClF3NO2/c10-6-2-4(7(14)8(15)16)1-5(3-6)9(11,12)13/h1-3,7H,14H2,(H,15,16)
InChIKey
ZGXMPVZRXMKVHA-UHFFFAOYSA-N
Compound name
2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.01173 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.01901 149.3
[M+Na]+ 276.00095 157.0
[M+NH4]+ 271.04555 153.8
[M+K]+ 291.97489 153.8
[M-H]- 252.00445 145.3
[M+Na-2H]- 273.98640 151.9
[M]+ 253.01118 149.0
[M]- 253.01228 149.0
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.