CID 4737324

4-chloro-2-methyl-8-nitroquinoline

Structural Information

Molecular Formula
C10H7ClN2O2
SMILES
CC1=CC(=C2C=CC=C(C2=N1)[N+](=O)[O-])Cl
InChI
InChI=1S/C10H7ClN2O2/c1-6-5-8(11)7-3-2-4-9(13(14)15)10(7)12-6/h2-5H,1H3
InChIKey
VJQVEHIJBHZXEV-UHFFFAOYSA-N
Compound name
4-chloro-2-methyl-8-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

222.0196 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.02688 142.7
[M+Na]+ 245.00882 152.8
[M-H]- 221.01232 146.3
[M+NH4]+ 240.05342 161.2
[M+K]+ 260.98276 144.6
[M+H-H2O]+ 205.01686 141.5
[M+HCOO]- 267.01780 162.0
[M+CH3COO]- 281.03345 183.1
[M+Na-2H]- 242.99427 152.0
[M]+ 222.01905 144.4
[M]- 222.02015 144.4
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