CID 5060224

4-chloro-1-benzenesulfonyl-7-azaindole

Structural Information

Molecular Formula
C13H9ClN2O2S
SMILES
C1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C(C=CN=C32)Cl
InChI
InChI=1S/C13H9ClN2O2S/c14-12-6-8-15-13-11(12)7-9-16(13)19(17,18)10-4-2-1-3-5-10/h1-9H
InChIKey
ZWIKJILDMNXRAR-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

234
Patents

292.00732 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.01460 162.6
[M+Na]+ 314.99654 176.0
[M-H]- 291.00004 169.2
[M+NH4]+ 310.04114 180.1
[M+K]+ 330.97048 169.6
[M+H-H2O]+ 275.00458 156.0
[M+HCOO]- 337.00552 176.4
[M+CH3COO]- 351.02117 175.8
[M+Na-2H]- 312.98199 168.2
[M]+ 292.00677 169.5
[M]- 292.00787 169.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe