CID 129917284

2-chloro-3-(chloromethyl)-6-methoxypyridine

Structural Information

Molecular Formula
C7H7Cl2NO
SMILES
COC1=NC(=C(C=C1)CCl)Cl
InChI
InChI=1S/C7H7Cl2NO/c1-11-6-3-2-5(4-8)7(9)10-6/h2-3H,4H2,1H3
InChIKey
SLXWEJOLMGFFKB-UHFFFAOYSA-N
Compound name
2-chloro-3-(chloromethyl)-6-methoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

190.99046 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.997736 132.4
[M+Na]+ 213.979678 143.5
[M-H]- 189.983184 134.4
[M+NH4]+ 209.024283 152.4
[M+K]+ 229.953618 139.2
[M+H-H2O]+ 173.987720 127.8
[M+HCOO]- 235.988661 146.7
[M+CH3COO]- 250.004311 180.9
[M+Na-2H]- 211.965126 139.1
[M]+ 190.98991142 137.0
[M]- 190.99100858 137.0
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