CID 23437014

4-chloro-2-ethynylpyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

137.00322 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.01050 122.8
[M+Na]+ 159.99244 137.7
[M+NH4]+ 155.03704 129.0
[M+K]+ 175.96638 127.3
[M-H]- 135.99594 117.3
[M+Na-2H]- 157.97789 128.6
[M]+ 137.00267 123.0
[M]- 137.00377 123.0
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