CID 112046

10474-32-5

Structural Information

Molecular Formula
C16H14O
SMILES
CC1(CC2=CC=CC=C2C1=O)C3=CC=CC=C3
InChI
InChI=1S/C16H14O/c1-16(13-8-3-2-4-9-13)11-12-7-5-6-10-14(12)15(16)17/h2-10H,11H2,1H3
InChIKey
CVZWTVDMZYGOSX-UHFFFAOYSA-N
Compound name
2-methyl-2-phenyl-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

222.10446 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.111736 149.6
[M+Na]+ 245.093678 159.0
[M-H]- 221.097184 157.8
[M+NH4]+ 240.138283 172.8
[M+K]+ 261.067618 154.2
[M+H-H2O]+ 205.101720 143.2
[M+HCOO]- 267.102661 173.1
[M+CH3COO]- 281.118311 163.5
[M+Na-2H]- 243.079126 155.5
[M]+ 222.10391142 149.3
[M]- 222.10500858 149.3
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