CID 4247643

2751-27-1

Structural Information

Molecular Formula
C6H7IN2O2S
SMILES
C1=CC(=CC=C1S(=O)(=O)NN)I
InChI
InChI=1S/C6H7IN2O2S/c7-5-1-3-6(4-2-5)12(10,11)9-8/h1-4,9H,8H2
InChIKey
IAXWCGDMDZJFHA-UHFFFAOYSA-N
Compound name
4-iodobenzenesulfonohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

297.9273 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.934576 153.8
[M+Na]+ 320.916518 154.8
[M-H]- 296.920024 150.3
[M+NH4]+ 315.961123 167.8
[M+K]+ 336.890458 157.5
[M+H-H2O]+ 280.924560 143.9
[M+HCOO]- 342.925501 168.8
[M+CH3COO]- 356.941151 190.5
[M+Na-2H]- 318.901966 146.4
[M]+ 297.92675142 150.6
[M]- 297.92784858 150.6
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

patents stripe