CID 379952

Nsc665144

Structural Information

Molecular Formula
C14H7ClN4O
SMILES
C1C(=C(C2=CC=CC=C2O1)Cl)C3=NC(=C(N3)C#N)C#N
InChI
InChI=1S/C14H7ClN4O/c15-13-8-3-1-2-4-12(8)20-7-9(13)14-18-10(5-16)11(6-17)19-14/h1-4H,7H2,(H,18,19)
InChIKey
CWVGNKRXVPDBQT-UHFFFAOYSA-N
Compound name
2-(4-chloro-2H-chromen-3-yl)-1H-imidazole-4,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.03085 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.03813 168.0
[M+Na]+ 305.02007 180.4
[M-H]- 281.02357 169.6
[M+NH4]+ 300.06467 177.3
[M+K]+ 320.99401 171.9
[M+H-H2O]+ 265.02811 150.8
[M+HCOO]- 327.02905 173.8
[M+CH3COO]- 341.04470 174.2
[M+Na-2H]- 303.00552 168.8
[M]+ 282.03030 160.3
[M]- 282.03140 160.3
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.