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

5
Patents

215.02522 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.03250 141.5
[M+Na]+ 238.01444 151.0
[M-H]- 214.01794 145.5
[M+NH4]+ 233.05904 160.2
[M+K]+ 253.98838 148.3
[M+H-H2O]+ 198.02248 135.8
[M+HCOO]- 260.02342 161.2
[M+CH3COO]- 274.03907 184.7
[M+Na-2H]- 235.99989 145.8
[M]+ 215.02467 145.2
[M]- 215.02577 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