CID 11506745

4-chloro-2-(chloromethyl)-3-methylpyridine

Structural Information

Molecular Formula
C7H7Cl2N
SMILES
CC1=C(C=CN=C1CCl)Cl
InChI
InChI=1S/C7H7Cl2N/c1-5-6(9)2-3-10-7(5)4-8/h2-3H,4H2,1H3
InChIKey
ZYUFKURTVOBEOQ-UHFFFAOYSA-N
Compound name
4-chloro-2-(chloromethyl)-3-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

174.99556 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.00284 129.6
[M+Na]+ 197.98478 140.7
[M-H]- 173.98828 131.5
[M+NH4]+ 193.02938 150.2
[M+K]+ 213.95872 135.9
[M+H-H2O]+ 157.99282 125.1
[M+HCOO]- 219.99376 143.6
[M+CH3COO]- 234.00941 179.0
[M+Na-2H]- 195.97023 136.3
[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

No literature data available for this compound.

Patent stripe

patents stripe