CID 39869344

3-chloro-n-[2-chloro-5-(pyrrolidine-1-sulfonyl)phenyl]propanamide

Structural Information

Molecular Formula
C13H16Cl2N2O3S
SMILES
C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CCCl
InChI
InChI=1S/C13H16Cl2N2O3S/c14-6-5-13(18)16-12-9-10(3-4-11(12)15)21(19,20)17-7-1-2-8-17/h3-4,9H,1-2,5-8H2,(H,16,18)
InChIKey
VFMXOAWGDZGRPW-UHFFFAOYSA-N
Compound name
3-chloro-N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.02588 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.03316 177.5
[M+Na]+ 373.01510 185.1
[M-H]- 349.01860 182.5
[M+NH4]+ 368.05970 192.6
[M+K]+ 388.98904 179.1
[M+H-H2O]+ 333.02314 171.9
[M+HCOO]- 395.02408 183.7
[M+CH3COO]- 409.03973 205.5
[M+Na-2H]- 371.00055 176.6
[M]+ 350.02533 181.0
[M]- 350.02643 181.0
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.