CID 4738143

6-bromo-2-chloro-4-methylquinoline

Structural Information

Molecular Formula
C10H7BrClN
SMILES
CC1=CC(=NC2=C1C=C(C=C2)Br)Cl
InChI
InChI=1S/C10H7BrClN/c1-6-4-10(12)13-9-3-2-7(11)5-8(6)9/h2-5H,1H3
InChIKey
NPDAQPXGOAYKAV-UHFFFAOYSA-N
Compound name
6-bromo-2-chloro-4-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

254.94504 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.95232 142.2
[M+Na]+ 277.93426 157.3
[M-H]- 253.93776 148.7
[M+NH4]+ 272.97886 164.3
[M+K]+ 293.90820 144.1
[M+H-H2O]+ 237.94230 143.1
[M+HCOO]- 299.94324 158.3
[M+CH3COO]- 313.95889 158.1
[M+Na-2H]- 275.91971 151.6
[M]+ 254.94449 163.4
[M]- 254.94559 163.4
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