CID 2735439

2-(benzenesulfonyl)-n'-hydroxyethanimidamide

Structural Information

Molecular Formula
C8H10N2O3S
SMILES
C1=CC=C(C=C1)S(=O)(=O)CC(=NO)N
InChI
InChI=1S/C8H10N2O3S/c9-8(10-11)6-14(12,13)7-4-2-1-3-5-7/h1-5,11H,6H2,(H2,9,10)
InChIKey
JDJJCAFDNKSAPX-UHFFFAOYSA-N
Compound name
2-(benzenesulfonyl)-N'-hydroxyethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

14
Patents

214.04121 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.04849 143.2
[M+Na]+ 237.03043 149.9
[M-H]- 213.03393 146.3
[M+NH4]+ 232.07503 161.0
[M+K]+ 253.00437 147.1
[M+H-H2O]+ 197.03847 136.8
[M+HCOO]- 259.03941 162.6
[M+CH3COO]- 273.05506 185.5
[M+Na-2H]- 235.01588 148.0
[M]+ 214.04066 143.1
[M]- 214.04176 143.1
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