CID 2736081

3,4-dichloropyridine

Structural Information

Molecular Formula
C5H3Cl2N
SMILES
C1=CN=CC(=C1Cl)Cl
InChI
InChI=1S/C5H3Cl2N/c6-4-1-2-8-3-5(4)7/h1-3H
InChIKey
ZMPYQKNNUHPTLT-UHFFFAOYSA-N
Compound name
3,4-dichloropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

772
Patents

146.96425 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.97153 120.6
[M+Na]+ 169.95347 131.7
[M-H]- 145.95697 122.5
[M+NH4]+ 164.99807 142.1
[M+K]+ 185.92741 127.4
[M+H-H2O]+ 129.96151 116.3
[M+HCOO]- 191.96245 135.3
[M+CH3COO]- 205.97810 172.0
[M+Na-2H]- 167.93892 129.2
[M]+ 146.96370 122.6
[M]- 146.96480 122.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe