CID 68013591

4-cyano-2-methoxybenzene-1-sulfonamide

Structural Information

Molecular Formula
C8H8N2O3S
SMILES
COC1=C(C=CC(=C1)C#N)S(=O)(=O)N
InChI
InChI=1S/C8H8N2O3S/c1-13-7-4-6(5-9)2-3-8(7)14(10,11)12/h2-4H,1H3,(H2,10,11,12)
InChIKey
ZJSRSWSGPLOVEE-UHFFFAOYSA-N
Compound name
4-cyano-2-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

212.02556 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.03284 151.1
[M+Na]+ 235.01478 162.1
[M-H]- 211.01828 155.1
[M+NH4]+ 230.05938 168.1
[M+K]+ 250.98872 159.7
[M+H-H2O]+ 195.02282 139.0
[M+HCOO]- 257.02376 166.8
[M+CH3COO]- 271.03941 196.6
[M+Na-2H]- 233.00023 154.3
[M]+ 212.02501 148.5
[M]- 212.02611 148.5
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