CID 14071574

2-chloro-5-(2-chloroethyl)pyridine

Structural Information

Molecular Formula
C7H7Cl2N
SMILES
C1=CC(=NC=C1CCCl)Cl
InChI
InChI=1S/C7H7Cl2N/c8-4-3-6-1-2-7(9)10-5-6/h1-2,5H,3-4H2
InChIKey
UYALCZIXSUIFCF-UHFFFAOYSA-N
Compound name
2-chloro-5-(2-chloroethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

174.99556 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.002836 130.0
[M+Na]+ 197.984778 140.2
[M-H]- 173.988284 131.5
[M+NH4]+ 193.029383 150.3
[M+K]+ 213.958718 135.4
[M+H-H2O]+ 157.992820 125.2
[M+HCOO]- 219.993761 144.0
[M+CH3COO]- 234.009411 177.9
[M+Na-2H]- 195.970226 137.4
[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