CID 5154257

13700-06-6

Structural Information

Molecular Formula
C10H12ClNO3S2
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)SCCCl
InChI
InChI=1S/C10H12ClNO3S2/c1-8(13)12-9-2-4-10(5-3-9)17(14,15)16-7-6-11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKey
KTWFVGIWJUUJCK-UHFFFAOYSA-N
Compound name
N-[4-(2-chloroethylsulfanylsulfonyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.99472 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.00200 159.8
[M+Na]+ 315.98394 167.6
[M-H]- 291.98744 163.4
[M+NH4]+ 311.02854 176.3
[M+K]+ 331.95788 161.5
[M+H-H2O]+ 275.99198 154.7
[M+HCOO]- 337.99292 168.0
[M+CH3COO]- 352.00857 196.5
[M+Na-2H]- 313.96939 161.5
[M]+ 292.99417 165.1
[M]- 292.99527 165.1
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.