CID 2749463

605-85-6

Structural Information

Molecular Formula
C18H14O
SMILES
C1=CC=C(C=C1)CC(=O)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C18H14O/c19-18(13-14-7-2-1-3-8-14)17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2
InChIKey
MIWBWVYSHZGCDQ-UHFFFAOYSA-N
Compound name
1-naphthalen-1-yl-2-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

246.10446 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.11174 155.6
[M+Na]+ 269.09368 162.7
[M-H]- 245.09718 162.8
[M+NH4]+ 264.13828 173.3
[M+K]+ 285.06762 157.5
[M+H-H2O]+ 229.10172 147.6
[M+HCOO]- 291.10266 177.7
[M+CH3COO]- 305.11831 167.9
[M+Na-2H]- 267.07913 162.6
[M]+ 246.10391 155.1
[M]- 246.10501 155.1
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