CID 515938

1-(5-chloro-2-nitro-phenyl)sulfonylpyrrole-2-carbohydrazide

Structural Information

Molecular Formula
C11H9ClN4O5S
SMILES
C1=CN(C(=C1)C(=O)NN)S(=O)(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C11H9ClN4O5S/c12-7-3-4-8(16(18)19)10(6-7)22(20,21)15-5-1-2-9(15)11(17)14-13/h1-6H,13H2,(H,14,17)
InChIKey
MQEKTHULZKHCJU-UHFFFAOYSA-N
Compound name
1-(5-chloro-2-nitrophenyl)sulfonylpyrrole-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.99823 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.00551 171.1
[M+Na]+ 366.98745 178.1
[M-H]- 342.99095 177.0
[M+NH4]+ 362.03205 183.9
[M+K]+ 382.96139 169.4
[M+H-H2O]+ 326.99549 169.1
[M+HCOO]- 388.99643 186.8
[M+CH3COO]- 403.01208 200.9
[M+Na-2H]- 364.97290 175.9
[M]+ 343.99768 172.0
[M]- 343.99878 172.0
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

No patent data available for this compound.