CID 72214054

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

Structural Information

Molecular Formula
C7H7Cl2N
SMILES
CC1=C(N=C(C=C1)Cl)CCl
InChI
InChI=1S/C7H7Cl2N/c1-5-2-3-7(9)10-6(5)4-8/h2-3H,4H2,1H3
InChIKey
WROVXJJSULIOLV-UHFFFAOYSA-N
Compound name
6-chloro-2-(chloromethyl)-3-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

174.99556 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.002836 129.6
[M+Na]+ 197.984778 140.7
[M-H]- 173.988284 131.5
[M+NH4]+ 193.029383 150.2
[M+K]+ 213.958718 135.9
[M+H-H2O]+ 157.992820 125.1
[M+HCOO]- 219.993761 143.6
[M+CH3COO]- 234.009411 179.0
[M+Na-2H]- 195.970226 136.3
[M]+ 174.99501142 132.7
[M]- 174.99610858 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