CID 5060181

4-bromo-n-(4-nitro-phenylsulfanyl)-benzamide

Structural Information

Molecular Formula
C13H9BrN2O3S
SMILES
C1=CC(=CC=C1C(=O)NSC2=CC=C(C=C2)[N+](=O)[O-])Br
InChI
InChI=1S/C13H9BrN2O3S/c14-10-3-1-9(2-4-10)13(17)15-20-12-7-5-11(6-8-12)16(18)19/h1-8H,(H,15,17)
InChIKey
ZPIMQCZMZVYVHA-UHFFFAOYSA-N
Compound name
4-bromo-N-(4-nitrophenyl)sulfanylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.95172 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.95900 155.4
[M+Na]+ 374.94094 159.2
[M+NH4]+ 369.98554 160.0
[M+K]+ 390.91488 160.0
[M-H]- 350.94444 159.3
[M+Na-2H]- 372.92639 160.9
[M]+ 351.95117 156.2
[M]- 351.95227 156.2
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.