CID 17842976

1-(4-cyanophenyl)ethanesulfonamide

Structural Information

Molecular Formula
C9H10N2O2S
SMILES
CC(C1=CC=C(C=C1)C#N)S(=O)(=O)N
InChI
InChI=1S/C9H10N2O2S/c1-7(14(11,12)13)9-4-2-8(6-10)3-5-9/h2-5,7H,1H3,(H2,11,12,13)
InChIKey
TVSHFPMSZTURPH-UHFFFAOYSA-N
Compound name
1-(4-cyanophenyl)ethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

210.0463 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.053576 153.9
[M+Na]+ 233.035518 163.8
[M-H]- 209.039024 157.6
[M+NH4]+ 228.080123 170.8
[M+K]+ 249.009458 161.0
[M+H-H2O]+ 193.043560 141.7
[M+HCOO]- 255.044501 168.2
[M+CH3COO]- 269.060151 197.1
[M+Na-2H]- 231.020966 156.1
[M]+ 210.04575142 149.5
[M]- 210.04684858 149.5
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