CID 12673397

4-chloro-2-methyl-3-nitroquinoline

Structural Information

Molecular Formula
C10H7ClN2O2
SMILES
CC1=NC2=CC=CC=C2C(=C1[N+](=O)[O-])Cl
InChI
InChI=1S/C10H7ClN2O2/c1-6-10(13(14)15)9(11)7-4-2-3-5-8(7)12-6/h2-5H,1H3
InChIKey
SECDHFOURHYAKP-UHFFFAOYSA-N
Compound name
4-chloro-2-methyl-3-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

222.0196 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.026876 142.7
[M+Na]+ 245.008818 152.8
[M-H]- 221.012324 146.3
[M+NH4]+ 240.053423 161.2
[M+K]+ 260.982758 144.6
[M+H-H2O]+ 205.016860 141.5
[M+HCOO]- 267.017801 162.0
[M+CH3COO]- 281.033451 183.1
[M+Na-2H]- 242.994266 152.0
[M]+ 222.01905142 144.4
[M]- 222.02014858 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