CID 22625060

2-chloro-4-(chloromethyl)-6-methoxypyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

190.99046 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.99774 132.4
[M+Na]+ 213.97968 143.5
[M-H]- 189.98318 134.4
[M+NH4]+ 209.02428 152.4
[M+K]+ 229.95362 139.2
[M+H-H2O]+ 173.98772 127.8
[M+HCOO]- 235.98866 146.7
[M+CH3COO]- 250.00431 180.9
[M+Na-2H]- 211.96513 139.1
[M]+ 190.98991 137.0
[M]- 190.99101 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