CID 768483

8-bromo-4-chloro-2-methylquinoline

Structural Information

Molecular Formula
C10H7BrClN
SMILES
CC1=CC(=C2C=CC=C(C2=N1)Br)Cl
InChI
InChI=1S/C10H7BrClN/c1-6-5-9(12)7-3-2-4-8(11)10(7)13-6/h2-5H,1H3
InChIKey
SDVHWORPDUOWDV-UHFFFAOYSA-N
Compound name
8-bromo-4-chloro-2-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

30
Patents

254.94504 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.952316 142.2
[M+Na]+ 277.934258 157.3
[M-H]- 253.937764 148.7
[M+NH4]+ 272.978863 164.3
[M+K]+ 293.908198 144.1
[M+H-H2O]+ 237.942300 143.1
[M+HCOO]- 299.943241 158.3
[M+CH3COO]- 313.958891 158.1
[M+Na-2H]- 275.919706 151.6
[M]+ 254.94449142 163.4
[M]- 254.94558858 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