CID 10654281

2-chloro-5-ethynylpyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

148
Patents

137.00322 Da
Monoisotopic Mass

2.1
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

literature stripe

Patent stripe

patents stripe