CID 26817824

N'-hydroxy-4-methanesulfonylbenzene-1-carboximidamide

Structural Information

Molecular Formula
C8H10N2O3S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)/C(=N/O)/N
InChI
InChI=1S/C8H10N2O3S/c1-14(12,13)7-4-2-6(3-5-7)8(9)10-11/h2-5,11H,1H3,(H2,9,10)
InChIKey
ASVKDPCGOIIZIN-UHFFFAOYSA-N
Compound name
N'-hydroxy-4-methylsulfonylbenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

214.04121 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.048486 142.9
[M+Na]+ 237.030428 150.6
[M-H]- 213.033934 146.5
[M+NH4]+ 232.075033 161.1
[M+K]+ 253.004368 147.8
[M+H-H2O]+ 197.038470 136.8
[M+HCOO]- 259.039411 162.3
[M+CH3COO]- 273.055061 186.7
[M+Na-2H]- 235.015876 147.1
[M]+ 214.04066142 143.3
[M]- 214.04175858 143.3
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