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]+ 183.03197 135.2
[M+Na]+ 205.01391 145.2
[M-H]- 181.01741 137.0
[M+NH4]+ 200.05851 156.2
[M+K]+ 220.98785 141.5
[M+H-H2O]+ 165.02195 128.8
[M+HCOO]- 227.02289 151.4
[M+CH3COO]- 241.03854 148.6
[M+Na-2H]- 202.99936 141.0
[M]+ 182.02414 136.1
[M]- 182.02524 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.