CID 638088

Trans-stilbene

Structural Information

Molecular Formula
C14H12
SMILES
C1=CC=C(C=C1)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H/b12-11+
InChIKey
PJANXHGTPQOBST-VAWYXSNFSA-N
Compound name
(E)-stilbene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

15314
References

131029
Patents

180.0939 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.101176 138.3
[M+Na]+ 203.083118 145.5
[M-H]- 179.086624 144.8
[M+NH4]+ 198.127723 158.0
[M+K]+ 219.057058 141.0
[M+H-H2O]+ 163.091160 131.5
[M+HCOO]- 225.092101 163.0
[M+CH3COO]- 239.107751 151.9
[M+Na-2H]- 201.068566 146.6
[M]+ 180.09335142 136.6
[M]- 180.09444858 136.6
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