CID 126666613

4-chloro-3-nitroquinoline-6-carbonitrile

Structural Information

Molecular Formula
C10H4ClN3O2
SMILES
C1=CC2=NC=C(C(=C2C=C1C#N)Cl)[N+](=O)[O-]
InChI
InChI=1S/C10H4ClN3O2/c11-10-7-3-6(4-12)1-2-8(7)13-5-9(10)14(15)16/h1-3,5H
InChIKey
NGCPEYHQBBWADK-UHFFFAOYSA-N
Compound name
4-chloro-3-nitroquinoline-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

232.9992 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.00648 151.9
[M+Na]+ 255.98842 163.7
[M-H]- 231.99192 154.3
[M+NH4]+ 251.03302 167.7
[M+K]+ 271.96236 154.1
[M+H-H2O]+ 215.99646 143.5
[M+HCOO]- 277.99740 167.5
[M+CH3COO]- 292.01305 196.2
[M+Na-2H]- 253.97387 159.6
[M]+ 232.99865 147.9
[M]- 232.99975 147.9
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