CID 154258202

2-(2-chloroacetamido)-4-(trifluoromethyl)benzoic acid

Structural Information

Molecular Formula
C10H7ClF3NO3
SMILES
C1=CC(=C(C=C1C(F)(F)F)NC(=O)CCl)C(=O)O
InChI
InChI=1S/C10H7ClF3NO3/c11-4-8(16)15-7-3-5(10(12,13)14)1-2-6(7)9(17)18/h1-3H,4H2,(H,15,16)(H,17,18)
InChIKey
HXSSRJOCQOBGRW-UHFFFAOYSA-N
Compound name
2-[(2-chloroacetyl)amino]-4-(trifluoromethyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.00665 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.01393 155.4
[M+Na]+ 303.99587 162.9
[M+NH4]+ 299.04047 159.2
[M+K]+ 319.96981 159.6
[M-H]- 279.99937 150.8
[M+Na-2H]- 301.98132 157.7
[M]+ 281.00610 154.9
[M]- 281.00720 154.9
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.