CID 71758466

4-chloro-7-methyl-3-nitroquinoline

Structural Information

Molecular Formula
C10H7ClN2O2
SMILES
CC1=CC2=NC=C(C(=C2C=C1)Cl)[N+](=O)[O-]
InChI
InChI=1S/C10H7ClN2O2/c1-6-2-3-7-8(4-6)12-5-9(10(7)11)13(14)15/h2-5H,1H3
InChIKey
FQWCHXWBGPCGOD-UHFFFAOYSA-N
Compound name
4-chloro-7-methyl-3-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

patents stripe