CID 16065773

7-chloro-9-oxo-9h-indeno[1,2-b]pyrazine-2,3-dicarbonitrile

Structural Information

Molecular Formula
C13H3ClN4O
SMILES
C1=CC2=C(C=C1Cl)C(=O)C3=NC(=C(N=C23)C#N)C#N
InChI
InChI=1S/C13H3ClN4O/c14-6-1-2-7-8(3-6)13(19)12-11(7)17-9(4-15)10(5-16)18-12/h1-3H
InChIKey
BIGPXXAUSQLTQR-UHFFFAOYSA-N
Compound name
7-chloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

39
Patents

265.99954 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.00682 167.1
[M+Na]+ 288.98876 181.3
[M-H]- 264.99226 168.8
[M+NH4]+ 284.03336 179.2
[M+K]+ 304.96270 171.8
[M+H-H2O]+ 248.99680 151.0
[M+HCOO]- 310.99774 174.7
[M+CH3COO]- 325.01339 174.3
[M+Na-2H]- 286.97421 168.6
[M]+ 265.99899 161.6
[M]- 266.00009 161.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe