CID 137944

1,4-diphenoxybutane

Structural Information

Molecular Formula
C16H18O2
SMILES
C1=CC=C(C=C1)OCCCCOC2=CC=CC=C2
InChI
InChI=1S/C16H18O2/c1-3-9-15(10-4-1)17-13-7-8-14-18-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2
InChIKey
PMVVWYMWJBCMMI-UHFFFAOYSA-N
Compound name
4-phenoxybutoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

720
Patents

242.13068 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.13796 155.9
[M+Na]+ 265.11990 161.5
[M-H]- 241.12340 161.7
[M+NH4]+ 260.16450 172.8
[M+K]+ 281.09384 158.2
[M+H-H2O]+ 225.12794 147.8
[M+HCOO]- 287.12888 180.0
[M+CH3COO]- 301.14453 192.2
[M+Na-2H]- 263.10535 162.8
[M]+ 242.13013 158.4
[M]- 242.13123 158.4
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