CID 13400637

3-chloro-2-ethynylpyridine

Structural Information

Molecular Formula
C7H4ClN
SMILES
C#CC1=C(C=CC=N1)Cl
InChI
InChI=1S/C7H4ClN/c1-2-7-6(8)4-3-5-9-7/h1,3-5H
InChIKey
QABKLKIFASNVHO-UHFFFAOYSA-N
Compound name
3-chloro-2-ethynylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

137.00322 Da
Monoisotopic Mass

1.8
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

No literature data available for this compound.

Patent stripe

patents stripe