CID 16790861

2-[4-(2-iodobenzamido)phenyl]acetic acid

Structural Information

Molecular Formula
C15H12INO3
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)CC(=O)O)I
InChI
InChI=1S/C15H12INO3/c16-13-4-2-1-3-12(13)15(20)17-11-7-5-10(6-8-11)9-14(18)19/h1-8H,9H2,(H,17,20)(H,18,19)
InChIKey
BUXXZNHUYINGMY-UHFFFAOYSA-N
Compound name
2-[4-[(2-iodobenzoyl)amino]phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.98618 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.99346 175.5
[M+Na]+ 403.97540 174.5
[M-H]- 379.97890 173.5
[M+NH4]+ 399.02000 185.3
[M+K]+ 419.94934 176.7
[M+H-H2O]+ 363.98344 164.0
[M+HCOO]- 425.98438 192.3
[M+CH3COO]- 440.00003 205.8
[M+Na-2H]- 401.96085 166.1
[M]+ 380.98563 171.8
[M]- 380.98673 171.8
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.