CID 154585067

Bwy4m9ecd7

Structural Information

Molecular Formula
C15H13ClFNO3
SMILES
C1=CC(=C(C(=C1)Cl)NC2=C(C=C(C=C2)CO)CC(=O)O)F
InChI
InChI=1S/C15H13ClFNO3/c16-11-2-1-3-12(17)15(11)18-13-5-4-9(8-19)6-10(13)7-14(20)21/h1-6,18-19H,7-8H2,(H,20,21)
InChIKey
PREBINJQDJNORC-UHFFFAOYSA-N
Compound name
2-[2-(2-chloro-6-fluoroanilino)-5-(hydroxymethyl)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.0568 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.06408 165.6
[M+Na]+ 332.04602 174.4
[M-H]- 308.04952 168.9
[M+NH4]+ 327.09062 179.9
[M+K]+ 348.01996 168.0
[M+H-H2O]+ 292.05406 158.5
[M+HCOO]- 354.05500 181.9
[M+CH3COO]- 368.07065 202.5
[M+Na-2H]- 330.03147 167.5
[M]+ 309.05625 166.5
[M]- 309.05735 166.5
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

No patent data available for this compound.