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]+ 223.02688 140.9
[M+Na]+ 245.00882 157.9
[M+NH4]+ 240.05342 150.6
[M+K]+ 260.98276 152.5
[M-H]- 221.01232 145.3
[M+Na-2H]- 242.99427 148.8
[M]+ 222.01905 144.9
[M]- 222.02015 144.9
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

No patent data available for this compound.