CID 53371

Brn 5075593

Structural Information

Molecular Formula
C16H14ClNO3
SMILES
CC(=O)NC1=C(C=CC(=C1)C2=CC=CC(=C2)CC(=O)O)Cl
InChI
InChI=1S/C16H14ClNO3/c1-10(19)18-15-9-13(5-6-14(15)17)12-4-2-3-11(7-12)8-16(20)21/h2-7,9H,8H2,1H3,(H,18,19)(H,20,21)
InChIKey
NYOHOXIVIBUYPA-UHFFFAOYSA-N
Compound name
2-[3-(3-acetamido-4-chlorophenyl)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.06622 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.07350 166.8
[M+Na]+ 326.05544 174.7
[M-H]- 302.05894 172.5
[M+NH4]+ 321.10004 181.7
[M+K]+ 342.02938 169.3
[M+H-H2O]+ 286.06348 160.3
[M+HCOO]- 348.06442 184.6
[M+CH3COO]- 362.08007 203.3
[M+Na-2H]- 324.04089 168.8
[M]+ 303.06567 169.1
[M]- 303.06677 169.1
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.