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]+ 171.97153 127.4
[M+Na]+ 193.95347 140.9
[M-H]- 169.95697 128.0
[M+NH4]+ 188.99807 145.8
[M+K]+ 209.92741 134.4
[M+H-H2O]+ 153.96151 117.1
[M+HCOO]- 215.96245 136.8
[M+CH3COO]- 229.97810 185.9
[M+Na-2H]- 191.93892 133.3
[M]+ 170.96370 124.3
[M]- 170.96480 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.