CID 2777629

3-(trifluoromethyl)-dl-phenylglycine

Structural Information

Molecular Formula
C9H8F3NO2
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C(C(=O)O)N
InChI
InChI=1S/C9H8F3NO2/c10-9(11,12)6-3-1-2-5(4-6)7(13)8(14)15/h1-4,7H,13H2,(H,14,15)
InChIKey
SRHNOGZIXICHOU-UHFFFAOYSA-N
Compound name
2-amino-2-[3-(trifluoromethyl)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

203
Patents

219.05072 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.05800 142.0
[M+Na]+ 242.03994 149.3
[M-H]- 218.04344 140.1
[M+NH4]+ 237.08454 159.0
[M+K]+ 258.01388 146.7
[M+H-H2O]+ 202.04798 134.0
[M+HCOO]- 264.04892 159.3
[M+CH3COO]- 278.06457 187.0
[M+Na-2H]- 240.02539 144.6
[M]+ 219.05017 135.3
[M]- 219.05127 135.3
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