CID 11074559

159531-97-2

Structural Information

Molecular Formula
C16H14
SMILES
CC1=CC2=C(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/h2-9,11H,10H2,1H3
InChIKey
ASGNRCDZSRNHOP-UHFFFAOYSA-N
Compound name
2-methyl-4-phenyl-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2018
Patents

206.10954 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11682 145.2
[M+Na]+ 229.09876 154.4
[M-H]- 205.10226 153.3
[M+NH4]+ 224.14336 167.2
[M+K]+ 245.07270 149.4
[M+H-H2O]+ 189.10680 138.7
[M+HCOO]- 251.10774 169.7
[M+CH3COO]- 265.12339 159.4
[M+Na-2H]- 227.08421 151.2
[M]+ 206.10899 145.3
[M]- 206.11009 145.3
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