CID 85761029

3-chloro-5,6,7,8-tetrahydrocinnoline-4-carbonitrile

Structural Information

Molecular Formula
C9H8ClN3
SMILES
C1CCC2=C(C1)C(=C(N=N2)Cl)C#N
InChI
InChI=1S/C9H8ClN3/c10-9-7(5-11)6-3-1-2-4-8(6)12-13-9/h1-4H2
InChIKey
YHRUVIJHAZRXCJ-UHFFFAOYSA-N
Compound name
3-chloro-5,6,7,8-tetrahydrocinnoline-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

193.04068 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04796 141.2
[M+Na]+ 216.02990 155.2
[M+NH4]+ 211.07450 147.1
[M+K]+ 232.00384 144.4
[M-H]- 192.03340 136.2
[M+Na-2H]- 214.01535 145.4
[M]+ 193.04013 141.3
[M]- 193.04123 141.3
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

patents stripe