CID 3865079

4-chloro-3-(pyrrolidine-1-sulfonyl)aniline

Structural Information

Molecular Formula
C10H13ClN2O2S
SMILES
C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)N)Cl
InChI
InChI=1S/C10H13ClN2O2S/c11-9-4-3-8(12)7-10(9)16(14,15)13-5-1-2-6-13/h3-4,7H,1-2,5-6,12H2
InChIKey
WOKJMOZJZLDIRK-UHFFFAOYSA-N
Compound name
4-chloro-3-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]+ 261.04592 156.2
[M+Na]+ 283.02786 165.2
[M-H]- 259.03136 161.6
[M+NH4]+ 278.07246 174.4
[M+K]+ 299.00180 160.1
[M+H-H2O]+ 243.03590 150.5
[M+HCOO]- 305.03684 168.4
[M+CH3COO]- 319.05249 190.1
[M+Na-2H]- 281.01331 157.2
[M]+ 260.03809 156.6
[M]- 260.03919 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.