CID 547321

N-[(4-methylbenzenesulfonyl)methyl]formamide

Structural Information

Molecular Formula
C9H11NO3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)CNC=O
InChI
InChI=1S/C9H11NO3S/c1-8-2-4-9(5-3-8)14(12,13)7-10-6-11/h2-6H,7H2,1H3,(H,10,11)
InChIKey
XEHIIYMZJQMMCF-UHFFFAOYSA-N
Compound name
N-[(4-methylphenyl)sulfonylmethyl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

82
Patents

213.04596 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.05324 142.9
[M+Na]+ 236.03518 151.3
[M-H]- 212.03868 147.0
[M+NH4]+ 231.07978 161.8
[M+K]+ 252.00912 148.2
[M+H-H2O]+ 196.04322 137.0
[M+HCOO]- 258.04416 162.7
[M+CH3COO]- 272.05981 185.0
[M+Na-2H]- 234.02063 148.2
[M]+ 213.04541 146.2
[M]- 213.04651 146.2
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

No patent data available for this compound.