CID 97449

64415-13-0

Structural Information

Molecular Formula
C9H10ClN3O2S
SMILES
C1=CC(=C(C=C1S(=O)(=O)NCCC#N)N)Cl
InChI
InChI=1S/C9H10ClN3O2S/c10-8-3-2-7(6-9(8)12)16(14,15)13-5-1-4-11/h2-3,6,13H,1,5,12H2
InChIKey
DNMYCTLTLUHRRT-UHFFFAOYSA-N
Compound name
3-amino-4-chloro-N-(2-cyanoethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

259.01822 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.02550 152.1
[M+Na]+ 282.00744 161.9
[M+NH4]+ 277.05204 155.9
[M+K]+ 297.98138 152.2
[M-H]- 258.01094 146.4
[M+Na-2H]- 279.99289 154.7
[M]+ 259.01767 151.5
[M]- 259.01877 151.5
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

No patent data available for this compound.