CID 7131602

N-{2-[5-(2-chloroacetyl)thiophen-2-yl]ethyl}methanesulfonamide

Structural Information

Molecular Formula
C9H12ClNO3S2
SMILES
CS(=O)(=O)NCCC1=CC=C(S1)C(=O)CCl
InChI
InChI=1S/C9H12ClNO3S2/c1-16(13,14)11-5-4-7-2-3-9(15-7)8(12)6-10/h2-3,11H,4-6H2,1H3
InChIKey
KIAJMSOJMQWKLZ-UHFFFAOYSA-N
Compound name
N-[2-[5-(2-chloroacetyl)thiophen-2-yl]ethyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.99472 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.00200 160.8
[M+Na]+ 303.98394 169.2
[M-H]- 279.98744 164.7
[M+NH4]+ 299.02854 179.6
[M+K]+ 319.95788 163.8
[M+H-H2O]+ 263.99198 156.3
[M+HCOO]- 325.99292 169.9
[M+CH3COO]- 340.00857 194.2
[M+Na-2H]- 301.96939 160.6
[M]+ 280.99417 166.7
[M]- 280.99527 166.7
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.