CID 10942441

1-ethenyl-4-ethynylbenzene

Structural Information

Molecular Formula
C10H8
SMILES
C=CC1=CC=C(C=C1)C#C
InChI
InChI=1S/C10H8/c1-3-9-5-7-10(4-2)8-6-9/h1,4-8H,2H2
InChIKey
GBLRMBKJBLNURW-UHFFFAOYSA-N
Compound name
1-ethenyl-4-ethynylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

191
Patents

128.0626 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.06988 126.6
[M+Na]+ 151.05182 137.8
[M-H]- 127.05532 129.2
[M+NH4]+ 146.09642 146.7
[M+K]+ 167.02576 133.0
[M+H-H2O]+ 111.05986 115.8
[M+HCOO]- 173.06080 145.4
[M+CH3COO]- 187.07645 182.1
[M+Na-2H]- 149.03727 132.8
[M]+ 128.06205 120.8
[M]- 128.06315 120.8
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