CID 66041

1,4-divinylbenzene

Structural Information

Molecular Formula
C10H10
SMILES
C=CC1=CC=C(C=C1)C=C
InChI
InChI=1S/C10H10/c1-3-9-5-7-10(4-2)8-6-9/h3-8H,1-2H2
InChIKey
WEERVPDNCOGWJF-UHFFFAOYSA-N
Compound name
1,4-bis(ethenyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

253
References

39180
Patents

130.07825 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.08553 124.2
[M+Na]+ 153.06747 132.8
[M-H]- 129.07097 128.2
[M+NH4]+ 148.11207 146.6
[M+K]+ 169.04141 129.7
[M+H-H2O]+ 113.07551 119.2
[M+HCOO]- 175.07645 149.0
[M+CH3COO]- 189.09210 173.8
[M+Na-2H]- 151.05292 131.6
[M]+ 130.07770 123.6
[M]- 130.07880 123.6
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