CID 23399076

158515-16-3

Structural Information

Molecular Formula
C16H14
SMILES
CC1=CC2C(=C1)C=CC=C2C3=CC=CC=C3
InChI
InChI=1S/C16H14/c1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13/h2-11,16H,1H3
InChIKey
LFKQYHKSRKKPQN-UHFFFAOYSA-N
Compound name
2-methyl-4-phenyl-3aH-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.10954 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11682 145.9
[M+Na]+ 229.09876 162.3
[M+NH4]+ 224.14336 157.4
[M+K]+ 245.07270 154.2
[M-H]- 205.10226 152.4
[M+Na-2H]- 227.08421 156.3
[M]+ 206.10899 150.4
[M]- 206.11009 150.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.