CID 53443272

5-formyl-2-methoxybenzenesulfonamide

Structural Information

Molecular Formula
C8H9NO4S
SMILES
COC1=C(C=C(C=C1)C=O)S(=O)(=O)N
InChI
InChI=1S/C8H9NO4S/c1-13-7-3-2-6(5-10)4-8(7)14(9,11)12/h2-5H,1H3,(H2,9,11,12)
InChIKey
HZZZXVQYTQPBPF-UHFFFAOYSA-N
Compound name
5-formyl-2-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

215.02522 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.032496 141.5
[M+Na]+ 238.014438 151.0
[M-H]- 214.017944 145.5
[M+NH4]+ 233.059043 160.2
[M+K]+ 253.988378 148.3
[M+H-H2O]+ 198.022480 135.8
[M+HCOO]- 260.023421 161.2
[M+CH3COO]- 274.039071 184.7
[M+Na-2H]- 235.999886 145.8
[M]+ 215.02467142 145.2
[M]- 215.02576858 145.2
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