CID 14762937

127792-23-8

Structural Information

Molecular Formula
C14H11BrClNO2
SMILES
C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Br)Cl
InChI
InChI=1S/C14H11BrClNO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
InChIKey
RABKUCPRNJPBRH-UHFFFAOYSA-N
Compound name
2-[2-(2-bromo-6-chloroanilino)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

338.96616 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.97344 165.2
[M+Na]+ 361.95538 176.6
[M-H]- 337.95888 173.2
[M+NH4]+ 356.99998 182.5
[M+K]+ 377.92932 162.5
[M+H-H2O]+ 321.96342 164.6
[M+HCOO]- 383.96436 181.6
[M+CH3COO]- 397.98001 204.6
[M+Na-2H]- 359.94083 170.2
[M]+ 338.96561 185.0
[M]- 338.96671 185.0
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