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

35
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 147.9
[M+Na]+ 270.03484 155.1
[M-H]- 246.03834 146.4
[M+NH4]+ 265.07944 163.9
[M+K]+ 286.00878 152.5
[M+H-H2O]+ 230.04288 139.6
[M+HCOO]- 292.04382 165.9
[M+CH3COO]- 306.05947 191.1
[M+Na-2H]- 268.02029 151.2
[M]+ 247.04507 143.2
[M]- 247.04617 143.2
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