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]+ 176.002836 129.5
[M+Na]+ 197.984778 139.5
[M-H]- 173.988284 131.3
[M+NH4]+ 193.029383 149.9
[M+K]+ 213.958718 135.1
[M+H-H2O]+ 157.992820 125.0
[M+HCOO]- 219.993761 142.7
[M+CH3COO]- 234.009411 178.7
[M+Na-2H]- 195.970226 135.9
[M]+ 174.99501142 131.8
[M]- 174.99610858 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