CID 3124266

35820-92-9

Structural Information

Molecular Formula
C21H26O2
SMILES
CCCCCCCCOC1=CC=C(C=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C21H26O2/c1-2-3-4-5-6-10-17-23-20-15-13-19(14-16-20)21(22)18-11-8-7-9-12-18/h7-9,11-16H,2-6,10,17H2,1H3
InChIKey
WTJWFFXZUSGGKB-UHFFFAOYSA-N
Compound name
(4-octoxyphenyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

450
Patents

310.19327 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.200546 177.9
[M+Na]+ 333.182488 182.3
[M-H]- 309.185994 183.3
[M+NH4]+ 328.227093 192.2
[M+K]+ 349.156428 177.7
[M+H-H2O]+ 293.190530 169.1
[M+HCOO]- 355.191471 199.5
[M+CH3COO]- 369.207121 208.1
[M+Na-2H]- 331.167936 180.1
[M]+ 310.19272142 181.3
[M]- 310.19381858 181.3
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

patents stripe