CID 11795

1-phenylnaphthalene

Structural Information

Molecular Formula
C16H12
SMILES
C1=CC=C(C=C1)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C16H12/c1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16/h1-12H
InChIKey
IYDMICQAKLQHLA-UHFFFAOYSA-N
Compound name
1-phenylnaphthalene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

16
References

10639
Patents

204.0939 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.10118 143.2
[M+Na]+ 227.08312 151.4
[M-H]- 203.08662 150.8
[M+NH4]+ 222.12772 163.0
[M+K]+ 243.05706 146.2
[M+H-H2O]+ 187.09116 135.8
[M+HCOO]- 249.09210 166.8
[M+CH3COO]- 263.10775 156.7
[M+Na-2H]- 225.06857 152.7
[M]+ 204.09335 142.0
[M]- 204.09445 142.0
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