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

401
Patents

310.19327 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.20055 177.9
[M+Na]+ 333.18249 182.3
[M-H]- 309.18599 183.3
[M+NH4]+ 328.22709 192.2
[M+K]+ 349.15643 177.7
[M+H-H2O]+ 293.19053 169.1
[M+HCOO]- 355.19147 199.5
[M+CH3COO]- 369.20712 208.1
[M+Na-2H]- 331.16794 180.1
[M]+ 310.19272 181.3
[M]- 310.19382 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