CID 1076689

300670-16-0

Structural Information

Molecular Formula
C19H14Br2N2O3S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)Br)C(=O)NC3=CC=C(C=C3)Br
InChI
InChI=1S/C19H14Br2N2O3S/c20-14-4-8-16(9-5-14)22-19(24)13-2-1-3-18(12-13)27(25,26)23-17-10-6-15(21)7-11-17/h1-12,23H,(H,22,24)
InChIKey
SJJKUNDBFWUAQB-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-3-[(4-bromophenyl)sulfamoyl]benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

13
Patents

507.90918 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.91646 175.7
[M+Na]+ 530.89840 183.8
[M-H]- 506.90190 186.4
[M+NH4]+ 525.94300 187.2
[M+K]+ 546.87234 167.1
[M+H-H2O]+ 490.90644 181.1
[M+HCOO]- 552.90738 187.9
[M+CH3COO]- 566.92303 232.4
[M+Na-2H]- 528.88385 181.3
[M]+ 507.90863 210.0
[M]- 507.90973 210.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe