CID 24749938

1h-pyrrolo[2,3-b]pyridine-3-sulfonyl chloride

Structural Information

Molecular Formula
C7H5ClN2O2S
SMILES
C1=CC2=C(NC=C2S(=O)(=O)Cl)N=C1
InChI
InChI=1S/C7H5ClN2O2S/c8-13(11,12)6-4-10-7-5(6)2-1-3-9-7/h1-4H,(H,9,10)
InChIKey
CNZIHLRMHLLIJQ-UHFFFAOYSA-N
Compound name
1H-pyrrolo[2,3-b]pyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

215.97603 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.98331 141.4
[M+Na]+ 238.96525 155.0
[M+NH4]+ 234.00985 149.6
[M+K]+ 254.93919 148.8
[M-H]- 214.96875 141.2
[M+Na-2H]- 236.95070 147.1
[M]+ 215.97548 144.0
[M]- 215.97658 144.0
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

patents stripe