CID 19045377

1408253-38-2

Structural Information

Molecular Formula
C7H7Cl2N
SMILES
CC(C1=CN=C(C=C1)Cl)Cl
InChI
InChI=1S/C7H7Cl2N/c1-5(8)6-2-3-7(9)10-4-6/h2-5H,1H3
InChIKey
UEOCLBUKKVLGJR-UHFFFAOYSA-N
Compound name
2-chloro-5-(1-chloroethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

174.99556 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.00284 129.5
[M+Na]+ 197.98478 139.5
[M-H]- 173.98828 131.3
[M+NH4]+ 193.02938 149.9
[M+K]+ 213.95872 135.1
[M+H-H2O]+ 157.99282 125.0
[M+HCOO]- 219.99376 142.7
[M+CH3COO]- 234.00941 178.7
[M+Na-2H]- 195.97023 135.9
[M]+ 174.99501 131.8
[M]- 174.99611 131.8
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