CID 81709533

8-bromo-4-chloro-7-methylquinoline

Structural Information

Molecular Formula
C10H7BrClN
SMILES
CC1=C(C2=NC=CC(=C2C=C1)Cl)Br
InChI
InChI=1S/C10H7BrClN/c1-6-2-3-7-8(12)4-5-13-10(7)9(6)11/h2-5H,1H3
InChIKey
NJFZDDUXYKTBJH-UHFFFAOYSA-N
Compound name
8-bromo-4-chloro-7-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.94504 Da
Monoisotopic Mass

3.9
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.