CID 91636103

1553611-49-6

Structural Information

Molecular Formula
C9H6Cl2N2O
SMILES
C1=CN=C2C(=C1Cl)C(=CN2)C(=O)CCl
InChI
InChI=1S/C9H6Cl2N2O/c10-3-7(14)5-4-13-9-8(5)6(11)1-2-12-9/h1-2,4H,3H2,(H,12,13)
InChIKey
IXWUVHYNSMHLLR-UHFFFAOYSA-N
Compound name
2-chloro-1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.98572 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.99300 142.5
[M+Na]+ 250.97494 157.6
[M+NH4]+ 246.01954 151.1
[M+K]+ 266.94888 151.8
[M-H]- 226.97844 143.1
[M+Na-2H]- 248.96039 148.9
[M]+ 227.98517 145.4
[M]- 227.98627 145.4
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.