CID 218301

40452-15-1

Structural Information

Molecular Formula
C17H14O
SMILES
CC(C=O)C1=CC2=C(C=C1)C3=CC=CC=C3C=C2
InChI
InChI=1S/C17H14O/c1-12(11-18)14-8-9-17-15(10-14)7-6-13-4-2-3-5-16(13)17/h2-12H,1H3
InChIKey
ODMDVXBFLZLMOV-UHFFFAOYSA-N
Compound name
2-phenanthren-2-ylpropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.10446 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.11174 150.9
[M+Na]+ 257.09368 160.4
[M-H]- 233.09718 156.7
[M+NH4]+ 252.13828 170.9
[M+K]+ 273.06762 155.3
[M+H-H2O]+ 217.10172 143.9
[M+HCOO]- 279.10266 173.2
[M+CH3COO]- 293.11831 164.2
[M+Na-2H]- 255.07913 159.4
[M]+ 234.10391 153.2
[M]- 234.10501 153.2
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.