CID 701910

4'-bromophthalanilic acid

Structural Information

Molecular Formula
C14H10BrNO3
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)Br)C(=O)O
InChI
InChI=1S/C14H10BrNO3/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
RVLIVDPEIKFJMG-UHFFFAOYSA-N
Compound name
2-[(4-bromophenyl)carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

318.9844 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.99168 162.2
[M+Na]+ 341.97362 171.5
[M-H]- 317.97712 170.0
[M+NH4]+ 337.01822 178.8
[M+K]+ 357.94756 159.8
[M+H-H2O]+ 301.98166 160.5
[M+HCOO]- 363.98260 182.3
[M+CH3COO]- 377.99825 201.6
[M+Na-2H]- 339.95907 167.0
[M]+ 318.98385 179.5
[M]- 318.98495 179.5
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