CID 10244160

2-(bromomethyl)-7-chloroquinoline

Structural Information

Molecular Formula
C10H7BrClN
SMILES
C1=CC(=CC2=C1C=CC(=N2)CBr)Cl
InChI
InChI=1S/C10H7BrClN/c11-6-9-4-2-7-1-3-8(12)5-10(7)13-9/h1-5H,6H2
InChIKey
WJOPLBNTJYROCF-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-7-chloroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

254.94504 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.95232 142.5
[M+Na]+ 277.93426 156.7
[M-H]- 253.93776 148.6
[M+NH4]+ 272.97886 164.3
[M+K]+ 293.90820 143.5
[M+H-H2O]+ 237.94230 143.2
[M+HCOO]- 299.94324 158.6
[M+CH3COO]- 313.95889 158.0
[M+Na-2H]- 275.91971 152.5
[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

patents stripe