CID 592822

6-methyl-6-phenylfulvene

Structural Information

Molecular Formula
C13H12
SMILES
CC(=C1C=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C13H12/c1-11(13-9-5-6-10-13)12-7-3-2-4-8-12/h2-10H,1H3
InChIKey
MBNCGVQBXYMZSC-UHFFFAOYSA-N
Compound name
1-cyclopenta-2,4-dien-1-ylideneethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

167
Patents

168.0939 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.101176 136.7
[M+Na]+ 191.083118 143.9
[M-H]- 167.086624 143.5
[M+NH4]+ 186.127723 158.7
[M+K]+ 207.057058 140.4
[M+H-H2O]+ 151.091160 130.5
[M+HCOO]- 213.092101 161.5
[M+CH3COO]- 227.107751 178.5
[M+Na-2H]- 189.068566 141.6
[M]+ 168.09335142 134.9
[M]- 168.09444858 134.9
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