CID 138991368

2-chloro-7-methyl-8-nitroquinoline

Structural Information

Molecular Formula
C10H7ClN2O2
SMILES
CC1=C(C2=C(C=C1)C=CC(=N2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C10H7ClN2O2/c1-6-2-3-7-4-5-8(11)12-9(7)10(6)13(14)15/h2-5H,1H3
InChIKey
XFUHCSVSJWYTPN-UHFFFAOYSA-N
Compound name
2-chloro-7-methyl-8-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

222.0196 Da
Monoisotopic Mass

3.3
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

No literature data available for this compound.

Patent stripe

patents stripe