CID 13052901

4-chloro-2-(chloromethyl)pyridine

Structural Information

Molecular Formula
C6H5Cl2N
SMILES
C1=CN=C(C=C1Cl)CCl
InChI
InChI=1S/C6H5Cl2N/c7-4-6-3-5(8)1-2-9-6/h1-3H,4H2
InChIKey
LMYLEZYGXCVCEY-UHFFFAOYSA-N
Compound name
4-chloro-2-(chloromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

268
Patents

160.9799 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.98718 125.3
[M+Na]+ 183.96912 136.0
[M-H]- 159.97262 127.0
[M+NH4]+ 179.01372 146.2
[M+K]+ 199.94306 131.4
[M+H-H2O]+ 143.97716 120.8
[M+HCOO]- 205.97810 139.7
[M+CH3COO]- 219.99375 175.0
[M+Na-2H]- 181.95457 133.3
[M]+ 160.97935 127.7
[M]- 160.98045 127.7
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