CID 2763016

8-(iodomethyl)quinoline

Structural Information

Molecular Formula
C10H8IN
SMILES
C1=CC2=C(C(=C1)CI)N=CC=C2
InChI
InChI=1S/C10H8IN/c11-7-9-4-1-3-8-5-2-6-12-10(8)9/h1-6H,7H2
InChIKey
RFYKJKSNQSDMNB-UHFFFAOYSA-N
Compound name
8-(iodomethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

268.97015 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.97743 135.0
[M+Na]+ 291.95937 137.0
[M-H]- 267.96287 131.0
[M+NH4]+ 287.00397 150.6
[M+K]+ 307.93331 139.5
[M+H-H2O]+ 251.96741 124.8
[M+HCOO]- 313.96835 152.6
[M+CH3COO]- 327.98400 144.6
[M+Na-2H]- 289.94482 133.2
[M]+ 268.96960 132.4
[M]- 268.97070 132.4
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