CID 16069314

4-ethynylphenylacetonitrile

Structural Information

Molecular Formula
C10H7N
SMILES
C#CC1=CC=C(C=C1)CC#N
InChI
InChI=1S/C10H7N/c1-2-9-3-5-10(6-4-9)7-8-11/h1,3-6H,7H2
InChIKey
CZUBOLAETAAHLA-UHFFFAOYSA-N
Compound name
2-(4-ethynylphenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

141.05785 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.06513 144.2
[M+Na]+ 164.04707 155.1
[M-H]- 140.05057 147.3
[M+NH4]+ 159.09167 158.5
[M+K]+ 180.02101 150.3
[M+H-H2O]+ 124.05511 130.2
[M+HCOO]- 186.05605 156.1
[M+CH3COO]- 200.07170 207.3
[M+Na-2H]- 162.03252 147.5
[M]+ 141.05730 136.0
[M]- 141.05840 136.0
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