CID 554984

60040-91-7

Structural Information

Molecular Formula
C14H10INO3
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)I)C(=O)O
InChI
InChI=1S/C14H10INO3/c15-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)14(18)19/h1-8H,(H,16,17)(H,18,19)
InChIKey
ICPHPDRHMVDFLQ-UHFFFAOYSA-N
Compound name
2-[(4-iodophenyl)carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

366.97055 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.97783 170.7
[M+Na]+ 389.95977 170.0
[M-H]- 365.96327 168.8
[M+NH4]+ 385.00437 181.0
[M+K]+ 405.93371 172.5
[M+H-H2O]+ 349.96781 159.3
[M+HCOO]- 411.96875 187.8
[M+CH3COO]- 425.98440 202.9
[M+Na-2H]- 387.94522 161.8
[M]+ 366.97000 166.7
[M]- 366.97110 166.7
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