CID 23436992

3-chloro-4-ethynylpyridine

Structural Information

Molecular Formula
C7H4ClN
SMILES
C#CC1=C(C=NC=C1)Cl
InChI
InChI=1S/C7H4ClN/c1-2-6-3-4-9-5-7(6)8/h1,3-5H
InChIKey
HBIXKYZHQNPYGN-UHFFFAOYSA-N
Compound name
3-chloro-4-ethynylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

137.00322 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.01050 122.5
[M+Na]+ 159.99244 134.9
[M-H]- 135.99594 123.4
[M+NH4]+ 155.03704 141.5
[M+K]+ 175.96638 129.7
[M+H-H2O]+ 120.00048 111.3
[M+HCOO]- 182.00142 136.4
[M+CH3COO]- 196.01707 180.6
[M+Na-2H]- 157.97789 129.7
[M]+ 137.00267 118.2
[M]- 137.00377 118.2
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