CID 4962170

5-[(benzenesulfonyl)methyl]furan-2-carbohydrazide

Structural Information

Molecular Formula
C12H12N2O4S
SMILES
C1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)NN
InChI
InChI=1S/C12H12N2O4S/c13-14-12(15)11-7-6-9(18-11)8-19(16,17)10-4-2-1-3-5-10/h1-7H,8,13H2,(H,14,15)
InChIKey
VWAIJGGHQGXZQP-UHFFFAOYSA-N
Compound name
5-(benzenesulfonylmethyl)furan-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

280.0518 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.05908 161.0
[M+Na]+ 303.04102 168.4
[M-H]- 279.04452 168.5
[M+NH4]+ 298.08562 176.7
[M+K]+ 319.01496 166.1
[M+H-H2O]+ 263.04906 154.3
[M+HCOO]- 325.05000 181.1
[M+CH3COO]- 339.06565 196.8
[M+Na-2H]- 301.02647 164.9
[M]+ 280.05125 163.3
[M]- 280.05235 163.3
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.