CID 75438

2-chloroquinoline-4-carbonyl chloride

Structural Information

Molecular Formula
C10H5Cl2NO
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)Cl)C(=O)Cl
InChI
InChI=1S/C10H5Cl2NO/c11-9-5-7(10(12)14)6-3-1-2-4-8(6)13-9/h1-5H
InChIKey
KTMXEEOPGLOPMJ-UHFFFAOYSA-N
Compound name
2-chloroquinoline-4-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

224.97482 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.982096 139.9
[M+Na]+ 247.964038 151.3
[M-H]- 223.967544 142.8
[M+NH4]+ 243.008643 159.4
[M+K]+ 263.937978 145.6
[M+H-H2O]+ 207.972080 134.9
[M+HCOO]- 269.973021 152.5
[M+CH3COO]- 283.988671 153.3
[M+Na-2H]- 245.949486 147.2
[M]+ 224.97427142 143.6
[M]- 224.97536858 143.6
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