CID 16777818

2-{[2-(trifluoromethyl)phenyl]formamido}acetic acid

Structural Information

Molecular Formula
C10H8F3NO3
SMILES
C1=CC=C(C(=C1)C(=O)NCC(=O)O)C(F)(F)F
InChI
InChI=1S/C10H8F3NO3/c11-10(12,13)7-4-2-1-3-6(7)9(17)14-5-8(15)16/h1-4H,5H2,(H,14,17)(H,15,16)
InChIKey
ICMKIQQGWGHTGR-UHFFFAOYSA-N
Compound name
2-[[2-(trifluoromethyl)benzoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

247.04562 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.05290 153.4
[M+Na]+ 270.03484 160.0
[M+NH4]+ 265.07944 157.0
[M+K]+ 286.00878 157.0
[M-H]- 246.03834 148.7
[M+Na-2H]- 268.02029 155.6
[M]+ 247.04507 152.4
[M]- 247.04617 152.4
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