CID 10740

1,1-diphenylethylene

Structural Information

Molecular Formula
C14H12
SMILES
C=C(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C14H12/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H2
InChIKey
ZMYIIHDQURVDRB-UHFFFAOYSA-N
Compound name
1-phenylethenylbenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

42
References

26639
Patents

180.0939 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.10118 138.4
[M+Na]+ 203.08312 145.1
[M-H]- 179.08662 144.9
[M+NH4]+ 198.12772 157.9
[M+K]+ 219.05706 141.1
[M+H-H2O]+ 163.09116 131.6
[M+HCOO]- 225.09210 162.1
[M+CH3COO]- 239.10775 182.2
[M+Na-2H]- 201.06857 145.5
[M]+ 180.09335 136.2
[M]- 180.09445 136.2
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