CID 3865673

2-chloro-n-[3-(pyrrolidine-1-sulfonyl)phenyl]acetamide

Structural Information

Molecular Formula
C12H15ClN2O3S
SMILES
C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCl
InChI
InChI=1S/C12H15ClN2O3S/c13-9-12(16)14-10-4-3-5-11(8-10)19(17,18)15-6-1-2-7-15/h3-5,8H,1-2,6-7,9H2,(H,14,16)
InChIKey
UHIJKXVJEIQICX-UHFFFAOYSA-N
Compound name
2-chloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.0492 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.05648 167.0
[M+Na]+ 325.03842 174.0
[M-H]- 301.04192 172.4
[M+NH4]+ 320.08302 183.3
[M+K]+ 341.01236 169.4
[M+H-H2O]+ 285.04646 160.7
[M+HCOO]- 347.04740 178.6
[M+CH3COO]- 361.06305 197.0
[M+Na-2H]- 323.02387 167.9
[M]+ 302.04865 168.8
[M]- 302.04975 168.8
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.