CID 1268083

155894-96-5

Structural Information

Molecular Formula
C10H8F3NO3
SMILES
C1=CC=C(C=C1)[C@@H](C(=O)O)NC(=O)C(F)(F)F
InChI
InChI=1S/C10H8F3NO3/c11-10(12,13)9(17)14-7(8(15)16)6-4-2-1-3-5-6/h1-5,7H,(H,14,17)(H,15,16)/t7-/m0/s1
InChIKey
AFPBGEGBLXHXNY-ZETCQYMHSA-N
Compound name
(2S)-2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

247.04562 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.05290 148.1
[M+Na]+ 270.03484 154.1
[M-H]- 246.03834 146.3
[M+NH4]+ 265.07944 163.7
[M+K]+ 286.00878 152.0
[M+H-H2O]+ 230.04288 139.6
[M+HCOO]- 292.04382 165.1
[M+CH3COO]- 306.05947 190.8
[M+Na-2H]- 268.02029 150.9
[M]+ 247.04507 142.4
[M]- 247.04617 142.4
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