CID 522885

6-bromo-2-methylquinoline

Structural Information

Molecular Formula
C10H8BrN
SMILES
CC1=NC2=C(C=C1)C=C(C=C2)Br
InChI
InChI=1S/C10H8BrN/c1-7-2-3-8-6-9(11)4-5-10(8)12-7/h2-6H,1H3
InChIKey
SQRYQSKJZVQJAY-UHFFFAOYSA-N
Compound name
6-bromo-2-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

657
Patents

220.98401 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.991286 137.5
[M+Na]+ 243.973228 150.8
[M-H]- 219.976734 143.9
[M+NH4]+ 239.017833 159.8
[M+K]+ 259.947168 139.4
[M+H-H2O]+ 203.981270 137.7
[M+HCOO]- 265.982211 158.1
[M+CH3COO]- 279.997861 153.4
[M+Na-2H]- 241.958676 148.0
[M]+ 220.98346142 156.6
[M]- 220.98455858 156.6
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