CID 2402656

5378-62-1

Structural Information

Molecular Formula
C7H8ClN3O3S
SMILES
C1=CC(=C(C=C1C(=O)NN)S(=O)(=O)N)Cl
InChI
InChI=1S/C7H8ClN3O3S/c8-5-2-1-4(7(12)11-9)3-6(5)15(10,13)14/h1-3H,9H2,(H,11,12)(H2,10,13,14)
InChIKey
XKQKCGDIIVQYKP-UHFFFAOYSA-N
Compound name
2-chloro-5-(hydrazinecarbonyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

248.9975 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.00478 148.6
[M+Na]+ 271.98672 157.2
[M-H]- 247.99022 152.0
[M+NH4]+ 267.03132 165.7
[M+K]+ 287.96066 152.5
[M+H-H2O]+ 231.99476 143.5
[M+HCOO]- 293.99570 164.1
[M+CH3COO]- 308.01135 193.5
[M+Na-2H]- 269.97217 151.7
[M]+ 248.99695 149.1
[M]- 248.99805 149.1
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