CID 244694

10,10-dimethyl-9(10h)-phenanthrenone

Structural Information

Molecular Formula
C16H14O
SMILES
CC1(C2=CC=CC=C2C3=CC=CC=C3C1=O)C
InChI
InChI=1S/C16H14O/c1-16(2)14-10-6-5-8-12(14)11-7-3-4-9-13(11)15(16)17/h3-10H,1-2H3
InChIKey
AQDOJLHKSYMMEV-UHFFFAOYSA-N
Compound name
10,10-dimethylphenanthren-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

222.10446 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.11174 148.1
[M+Na]+ 245.09368 158.4
[M-H]- 221.09718 154.2
[M+NH4]+ 240.13828 171.0
[M+K]+ 261.06762 153.6
[M+H-H2O]+ 205.10172 141.6
[M+HCOO]- 267.10266 169.0
[M+CH3COO]- 281.11831 161.8
[M+Na-2H]- 243.07913 156.7
[M]+ 222.10391 148.6
[M]- 222.10501 148.6
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