CID 165592817

2731006-83-8

Structural Information

Molecular Formula
C8H7ClN2O
SMILES
C1CN(C2=C1C=CC=N2)C(=O)Cl
InChI
InChI=1S/C8H7ClN2O/c9-8(12)11-5-3-6-2-1-4-10-7(6)11/h1-2,4H,3,5H2
InChIKey
VIVDZPHOSGYJAG-UHFFFAOYSA-N
Compound name
2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.02469 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.031966 135.2
[M+Na]+ 205.013908 145.2
[M-H]- 181.017414 137.0
[M+NH4]+ 200.058513 156.2
[M+K]+ 220.987848 141.5
[M+H-H2O]+ 165.021950 128.8
[M+HCOO]- 227.022891 151.4
[M+CH3COO]- 241.038541 148.6
[M+Na-2H]- 202.999356 141.0
[M]+ 182.02414142 136.1
[M]- 182.02523858 136.1
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.