CID 316654

2,6-bis(chloromethyl)pyridine

Structural Information

Molecular Formula
C7H7Cl2N
SMILES
C1=CC(=NC(=C1)CCl)CCl
InChI
InChI=1S/C7H7Cl2N/c8-4-6-2-1-3-7(5-9)10-6/h1-3H,4-5H2
InChIKey
IWQNFYRJSVJWQA-UHFFFAOYSA-N
Compound name
2,6-bis(chloromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

724
Patents

174.99556 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.00284 130.0
[M+Na]+ 197.98478 140.2
[M-H]- 173.98828 131.5
[M+NH4]+ 193.02938 150.3
[M+K]+ 213.95872 135.4
[M+H-H2O]+ 157.99282 125.2
[M+HCOO]- 219.99376 144.0
[M+CH3COO]- 234.00941 177.9
[M+Na-2H]- 195.97023 137.4
[M]+ 174.99501 132.7
[M]- 174.99611 132.7
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