CID 19087995

5-benzyl-2-chloropyridine

Structural Information

Molecular Formula
C12H10ClN
SMILES
C1=CC=C(C=C1)CC2=CN=C(C=C2)Cl
InChI
InChI=1S/C12H10ClN/c13-12-7-6-11(9-14-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKey
SFSNZWOWXYUDIO-UHFFFAOYSA-N
Compound name
5-benzyl-2-chloropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

203.05017 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.057446 140.9
[M+Na]+ 226.039388 150.2
[M-H]- 202.042894 146.1
[M+NH4]+ 221.083993 159.4
[M+K]+ 242.013328 144.7
[M+H-H2O]+ 186.047430 133.8
[M+HCOO]- 248.048371 160.0
[M+CH3COO]- 262.064021 154.3
[M+Na-2H]- 224.024836 149.0
[M]+ 203.04962142 142.2
[M]- 203.05071858 142.2
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