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

19
Patents

212.02556 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.032836 151.1
[M+Na]+ 235.014778 162.1
[M-H]- 211.018284 155.1
[M+NH4]+ 230.059383 168.1
[M+K]+ 250.988718 159.7
[M+H-H2O]+ 195.022820 139.0
[M+HCOO]- 257.023761 166.8
[M+CH3COO]- 271.039411 196.6
[M+Na-2H]- 233.000226 154.3
[M]+ 212.02501142 148.5
[M]- 212.02610858 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