CID 165940793

7-chloro-1-methyl-1h-pyrrolo[2,3-c]pyridine-3-sulfonamide

Structural Information

Molecular Formula
C8H8ClN3O2S
SMILES
CN1C=C(C2=C1C(=NC=C2)Cl)S(=O)(=O)N
InChI
InChI=1S/C8H8ClN3O2S/c1-12-4-6(15(10,13)14)5-2-3-11-8(9)7(5)12/h2-4H,1H3,(H2,10,13,14)
InChIKey
FOHJIINEMDQWFT-UHFFFAOYSA-N
Compound name
7-chloro-1-methylpyrrolo[2,3-c]pyridine-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.00258 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.009856 149.3
[M+Na]+ 267.991798 163.1
[M-H]- 243.995304 152.6
[M+NH4]+ 263.036403 168.7
[M+K]+ 283.965738 157.8
[M+H-H2O]+ 227.999840 144.3
[M+HCOO]- 290.000781 163.4
[M+CH3COO]- 304.016431 188.9
[M+Na-2H]- 265.977246 154.0
[M]+ 245.00203142 155.4
[M]- 245.00312858 155.4
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.