CID 2529983

4-cyano-n-cyclopropylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C10H10N2O2S
SMILES
C1CC1NS(=O)(=O)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C10H10N2O2S/c11-7-8-1-5-10(6-2-8)15(13,14)12-9-3-4-9/h1-2,5-6,9,12H,3-4H2
InChIKey
HZBDUBMSTOBGML-UHFFFAOYSA-N
Compound name
4-cyano-N-cyclopropylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

13
Patents

222.0463 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.053576 149.3
[M+Na]+ 245.035518 164.8
[M-H]- 221.039024 158.3
[M+NH4]+ 240.080123 163.4
[M+K]+ 261.009458 157.9
[M+H-H2O]+ 205.043560 139.4
[M+HCOO]- 267.044501 167.3
[M+CH3COO]- 281.060151 200.8
[M+Na-2H]- 243.020966 155.5
[M]+ 222.04575142 149.7
[M]- 222.04684858 149.7
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