CID 167728859

2-chloro-1-{5-fluoro-1h-pyrrolo[3,2-b]pyridin-3-yl}ethan-1-one

Structural Information

Molecular Formula
C9H6ClFN2O
SMILES
C1=CC(=NC2=C1NC=C2C(=O)CCl)F
InChI
InChI=1S/C9H6ClFN2O/c10-3-7(14)5-4-12-6-1-2-8(11)13-9(5)6/h1-2,4,12H,3H2
InChIKey
RJJVIEZLPXYSHY-UHFFFAOYSA-N
Compound name
2-chloro-1-(5-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.01527 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.02255 138.7
[M+Na]+ 235.00449 150.8
[M-H]- 211.00799 138.7
[M+NH4]+ 230.04909 158.2
[M+K]+ 250.97843 145.0
[M+H-H2O]+ 195.01253 131.8
[M+HCOO]- 257.01347 155.0
[M+CH3COO]- 271.02912 152.0
[M+Na-2H]- 232.98994 144.4
[M]+ 212.01472 140.5
[M]- 212.01582 140.5
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.