CID 165940792

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

Structural Information

Molecular Formula
C8H6Cl2N2O2S
SMILES
CN1C=C(C2=C1C(=NC=C2)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C8H6Cl2N2O2S/c1-12-4-6(15(10,13)14)5-2-3-11-8(9)7(5)12/h2-4H,1H3
InChIKey
LSBHUEHVHKXZND-UHFFFAOYSA-N
Compound name
7-chloro-1-methylpyrrolo[2,3-c]pyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.9527 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.959976 150.9
[M+Na]+ 286.941918 165.6
[M-H]- 262.945424 154.2
[M+NH4]+ 281.986523 170.4
[M+K]+ 302.915858 159.9
[M+H-H2O]+ 246.949960 146.5
[M+HCOO]- 308.950901 159.4
[M+CH3COO]- 322.966551 189.3
[M+Na-2H]- 284.927366 155.1
[M]+ 263.95215142 159.3
[M]- 263.95324858 159.3
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.