CID 43531943

6-bromo-4-chloro-8-methylquinoline

Structural Information

Molecular Formula
C10H7BrClN
SMILES
CC1=CC(=CC2=C(C=CN=C12)Cl)Br
InChI
InChI=1S/C10H7BrClN/c1-6-4-7(11)5-8-9(12)2-3-13-10(6)8/h2-5H,1H3
InChIKey
ANZWRYPWQLXDFC-UHFFFAOYSA-N
Compound name
6-bromo-4-chloro-8-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
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

No literature data available for this compound.

Patent stripe

patents stripe