CID 2963514

328028-27-9

Structural Information

Molecular Formula
C10H13ClN2O2S
SMILES
C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)N
InChI
InChI=1S/C10H13ClN2O2S/c11-9-4-3-8(7-10(9)12)16(14,15)13-5-1-2-6-13/h3-4,7H,1-2,5-6,12H2
InChIKey
GOKCSPWMCMIFNZ-UHFFFAOYSA-N
Compound name
2-chloro-5-pyrrolidin-1-ylsulfonylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.03864 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.045916 156.2
[M+Na]+ 283.027858 165.2
[M-H]- 259.031364 161.6
[M+NH4]+ 278.072463 174.4
[M+K]+ 299.001798 160.1
[M+H-H2O]+ 243.035900 150.5
[M+HCOO]- 305.036841 168.4
[M+CH3COO]- 319.052491 190.1
[M+Na-2H]- 281.013306 157.2
[M]+ 260.03809142 156.6
[M]- 260.03918858 156.6
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.