CID 13419445

8-bromo-7-methylquinoline

Structural Information

Molecular Formula
C10H8BrN
SMILES
CC1=C(C2=C(C=CC=N2)C=C1)Br
InChI
InChI=1S/C10H8BrN/c1-7-4-5-8-3-2-6-12-10(8)9(7)11/h2-6H,1H3
InChIKey
SLLODIGTEKKDMR-UHFFFAOYSA-N
Compound name
8-bromo-7-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

220.98401 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.99129 137.5
[M+Na]+ 243.97323 150.8
[M-H]- 219.97673 143.9
[M+NH4]+ 239.01783 159.8
[M+K]+ 259.94717 139.4
[M+H-H2O]+ 203.98127 137.7
[M+HCOO]- 265.98221 158.1
[M+CH3COO]- 279.99786 153.4
[M+Na-2H]- 241.95868 148.0
[M]+ 220.98346 156.6
[M]- 220.98456 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