CID 23436954

4-chloro-3-ethynylpyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

137.00322 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.010496 122.5
[M+Na]+ 159.992438 134.9
[M-H]- 135.995944 123.4
[M+NH4]+ 155.037043 141.5
[M+K]+ 175.966378 129.7
[M+H-H2O]+ 120.000480 111.3
[M+HCOO]- 182.001421 136.4
[M+CH3COO]- 196.017071 180.6
[M+Na-2H]- 157.977886 129.7
[M]+ 137.00267142 118.2
[M]- 137.00376858 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