CID 12048655

21855-80-1

Structural Information

Molecular Formula
C17H16O
SMILES
COC1=CC=C(C=C1)C2=CCCC3=CC=CC=C32
InChI
InChI=1S/C17H16O/c1-18-15-11-9-14(10-12-15)17-8-4-6-13-5-2-3-7-16(13)17/h2-3,5,7-12H,4,6H2,1H3
InChIKey
FHRXAVHXIKEWEU-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)-1,2-dihydronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

236.12012 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.127396 152.8
[M+Na]+ 259.109338 160.3
[M-H]- 235.112844 160.2
[M+NH4]+ 254.153943 171.4
[M+K]+ 275.083278 155.7
[M+H-H2O]+ 219.117380 145.0
[M+HCOO]- 281.118321 174.7
[M+CH3COO]- 295.133971 165.5
[M+Na-2H]- 257.094786 159.9
[M]+ 236.11957142 152.2
[M]- 236.12066858 152.2
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