CID 18925355

83922-54-7

Structural Information

Molecular Formula
C8H9NO3S
SMILES
CS(=O)(=O)NC1=CC=C(C=C1)C=O
InChI
InChI=1S/C8H9NO3S/c1-13(11,12)9-8-4-2-7(6-10)3-5-8/h2-6,9H,1H3
InChIKey
DANYPOSRRWSVPY-UHFFFAOYSA-N
Compound name
N-(4-formylphenyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

192
Patents

199.03032 Da
Monoisotopic Mass

0.7
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

literature stripe

Patent stripe

patents stripe