CID 192860

Trivinylbenzene

Structural Information

Molecular Formula
C12H12
SMILES
C=CC1=C(C(=CC=C1)C=C)C=C
InChI
InChI=1S/C12H12/c1-4-10-8-7-9-11(5-2)12(10)6-3/h4-9H,1-3H2
InChIKey
WVAFEFUPWRPQSY-UHFFFAOYSA-N
Compound name
1,2,3-tris(ethenyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

21307
Patents

156.0939 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.10118 131.0
[M+Na]+ 179.08312 140.0
[M-H]- 155.08662 135.0
[M+NH4]+ 174.12772 152.6
[M+K]+ 195.05706 135.8
[M+H-H2O]+ 139.09116 126.0
[M+HCOO]- 201.09210 155.3
[M+CH3COO]- 215.10775 180.1
[M+Na-2H]- 177.06857 136.6
[M]+ 156.09335 130.8
[M]- 156.09445 130.8
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