CID 165947570

2,3-dichloro-4-ethynylpyridine

Structural Information

Molecular Formula
C7H3Cl2N
SMILES
C#CC1=C(C(=NC=C1)Cl)Cl
InChI
InChI=1S/C7H3Cl2N/c1-2-5-3-4-10-7(9)6(5)8/h1,3-4H
InChIKey
DRYFBSIUUBMIDB-UHFFFAOYSA-N
Compound name
2,3-dichloro-4-ethynylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.96425 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.971526 127.4
[M+Na]+ 193.953468 140.9
[M-H]- 169.956974 128.0
[M+NH4]+ 188.998073 145.8
[M+K]+ 209.927408 134.4
[M+H-H2O]+ 153.961510 117.1
[M+HCOO]- 215.962451 136.8
[M+CH3COO]- 229.978101 185.9
[M+Na-2H]- 191.938916 133.3
[M]+ 170.96370142 124.3
[M]- 170.96479858 124.3
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

No patent data available for this compound.