CID 14327177

4-formyl-n-methylbenzenesulfonamide

Structural Information

Molecular Formula
C8H9NO3S
SMILES
CNS(=O)(=O)C1=CC=C(C=C1)C=O
InChI
InChI=1S/C8H9NO3S/c1-9-13(11,12)8-4-2-7(6-10)3-5-8/h2-6,9H,1H3
InChIKey
OPTKITMTUSAJRP-UHFFFAOYSA-N
Compound name
4-formyl-N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

199.03032 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.03760 138.4
[M+Na]+ 222.01954 147.3
[M-H]- 198.02304 142.7
[M+NH4]+ 217.06414 157.9
[M+K]+ 237.99348 144.4
[M+H-H2O]+ 182.02758 132.7
[M+HCOO]- 244.02852 158.6
[M+CH3COO]- 258.04417 182.0
[M+Na-2H]- 220.00499 144.2
[M]+ 199.02977 141.3
[M]- 199.03087 141.3
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