CID 43119548

2-chloro-1-{1h-pyrrolo[2,3-b]pyridin-3-yl}propan-1-one

Structural Information

Molecular Formula
C10H9ClN2O
SMILES
CC(C(=O)C1=CNC2=C1C=CC=N2)Cl
InChI
InChI=1S/C10H9ClN2O/c1-6(11)9(14)8-5-13-10-7(8)3-2-4-12-10/h2-6H,1H3,(H,12,13)
InChIKey
GIIPPRSBUWRMAQ-UHFFFAOYSA-N
Compound name
2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.04034 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.047616 141.6
[M+Na]+ 231.029558 152.0
[M-H]- 207.033064 142.6
[M+NH4]+ 226.074163 160.9
[M+K]+ 247.003498 146.9
[M+H-H2O]+ 191.037600 135.4
[M+HCOO]- 253.038541 157.6
[M+CH3COO]- 267.054191 154.5
[M+Na-2H]- 229.015006 146.8
[M]+ 208.03979142 143.9
[M]- 208.04088858 143.9
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.