CID 17125

9-vinylanthracene

Structural Information

Molecular Formula
C16H12
SMILES
C=CC1=C2C=CC=CC2=CC3=CC=CC=C31
InChI
InChI=1S/C16H12/c1-2-14-15-9-5-3-7-12(15)11-13-8-4-6-10-16(13)14/h2-11H,1H2
InChIKey
OGOYZCQQQFAGRI-UHFFFAOYSA-N
Compound name
9-ethenylanthracene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

5511
Patents

204.0939 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.101176 142.0
[M+Na]+ 227.083118 152.5
[M-H]- 203.086624 148.0
[M+NH4]+ 222.127723 163.5
[M+K]+ 243.057058 146.5
[M+H-H2O]+ 187.091160 135.4
[M+HCOO]- 249.092101 165.5
[M+CH3COO]- 263.107751 156.1
[M+Na-2H]- 225.068566 152.4
[M]+ 204.09335142 143.2
[M]- 204.09444858 143.2
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