CID 139096

1,6-diphenoxyhexane

Structural Information

Molecular Formula
C18H22O2
SMILES
C1=CC=C(C=C1)OCCCCCCOC2=CC=CC=C2
InChI
InChI=1S/C18H22O2/c1(9-15-19-17-11-5-3-6-12-17)2-10-16-20-18-13-7-4-8-14-18/h3-8,11-14H,1-2,9-10,15-16H2
InChIKey
BLBMCHWSWYHXFF-UHFFFAOYSA-N
Compound name
6-phenoxyhexoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

306
Patents

270.162 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.16928 165.1
[M+Na]+ 293.15122 169.9
[M-H]- 269.15472 170.6
[M+NH4]+ 288.19582 180.9
[M+K]+ 309.12516 166.0
[M+H-H2O]+ 253.15926 156.6
[M+HCOO]- 315.16020 188.5
[M+CH3COO]- 329.17585 198.1
[M+Na-2H]- 291.13667 170.9
[M]+ 270.16145 168.3
[M]- 270.16255 168.3
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