CID 67106897

1289942-66-0

Structural Information

Molecular Formula
C12H15FN2O3
SMILES
CC(C)(C(=O)O)NC1=CC(=C(C=C1)C(=O)NC)F
InChI
InChI=1S/C12H15FN2O3/c1-12(2,11(17)18)15-7-4-5-8(9(13)6-7)10(16)14-3/h4-6,15H,1-3H3,(H,14,16)(H,17,18)
InChIKey
IAAHEGARPMZSTJ-UHFFFAOYSA-N
Compound name
2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

254.10667 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.11395 155.3
[M+Na]+ 277.09589 161.4
[M-H]- 253.09939 156.5
[M+NH4]+ 272.14049 171.1
[M+K]+ 293.06983 159.5
[M+H-H2O]+ 237.10393 148.4
[M+HCOO]- 299.10487 175.8
[M+CH3COO]- 313.12052 198.8
[M+Na-2H]- 275.08134 158.4
[M]+ 254.10612 153.5
[M]- 254.10722 153.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe