CID 1548099

4-bromo-n-(phenoxy-phenyl-methylene)-benzenesulfonamide

Structural Information

Molecular Formula
C19H14BrNO3S
SMILES
C1=CC=C(C=C1)C(=NS(=O)(=O)C2=CC=C(C=C2)Br)OC3=CC=CC=C3
InChI
InChI=1S/C19H14BrNO3S/c20-16-11-13-18(14-12-16)25(22,23)21-19(15-7-3-1-4-8-15)24-17-9-5-2-6-10-17/h1-14H
InChIKey
QMRLSFBQKVLJHJ-UHFFFAOYSA-N
Compound name
phenyl N-(4-bromophenyl)sulfonylbenzenecarboximidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.9878 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.99508 179.8
[M+Na]+ 437.97702 189.6
[M-H]- 413.98052 192.7
[M+NH4]+ 433.02162 194.2
[M+K]+ 453.95096 177.3
[M+H-H2O]+ 397.98506 177.5
[M+HCOO]- 459.98600 197.6
[M+CH3COO]- 474.00165 216.9
[M+Na-2H]- 435.96247 186.4
[M]+ 414.98725 200.8
[M]- 414.98835 200.8
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.