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]+ 213.022546 138.7
[M+Na]+ 235.004488 150.8
[M-H]- 211.007994 138.7
[M+NH4]+ 230.049093 158.2
[M+K]+ 250.978428 145.0
[M+H-H2O]+ 195.012530 131.8
[M+HCOO]- 257.013471 155.0
[M+CH3COO]- 271.029121 152.0
[M+Na-2H]- 232.989936 144.4
[M]+ 212.01472142 140.5
[M]- 212.01581858 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.