CID 2760236

4-[(4-nitrophenyl)carbamoylamino]benzenesulfonyl chloride

Structural Information

Molecular Formula
C13H10ClN3O5S
SMILES
C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)S(=O)(=O)Cl)[N+](=O)[O-]
InChI
InChI=1S/C13H10ClN3O5S/c14-23(21,22)12-7-3-10(4-8-12)16-13(18)15-9-1-5-11(6-2-9)17(19)20/h1-8H,(H2,15,16,18)
InChIKey
LNIURRRAXLGQOI-UHFFFAOYSA-N
Compound name
4-[(4-nitrophenyl)carbamoylamino]benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.00296 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.01024 172.6
[M+Na]+ 377.99218 178.1
[M-H]- 353.99568 179.3
[M+NH4]+ 373.03678 184.4
[M+K]+ 393.96612 169.2
[M+H-H2O]+ 338.00022 170.1
[M+HCOO]- 400.00116 188.8
[M+CH3COO]- 414.01681 203.1
[M+Na-2H]- 375.97763 179.7
[M]+ 355.00241 173.8
[M]- 355.00351 173.8
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.