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]+ 281.059076 161.0
[M+Na]+ 303.041018 168.4
[M-H]- 279.044524 168.5
[M+NH4]+ 298.085623 176.7
[M+K]+ 319.014958 166.1
[M+H-H2O]+ 263.049060 154.3
[M+HCOO]- 325.050001 181.1
[M+CH3COO]- 339.065651 196.8
[M+Na-2H]- 301.026466 164.9
[M]+ 280.05125142 163.3
[M]- 280.05234858 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.