CID 5274975

5-butyl-2-phenoxy-phenol

Structural Information

Molecular Formula
C16H18O2
SMILES
CCCCC1=CC(=C(C=C1)OC2=CC=CC=C2)O
InChI
InChI=1S/C16H18O2/c1-2-3-7-13-10-11-16(15(17)12-13)18-14-8-5-4-6-9-14/h4-6,8-12,17H,2-3,7H2,1H3
InChIKey
GAICIHBRANQBDZ-UHFFFAOYSA-N
Compound name
5-butyl-2-phenoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

242.13068 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.13796 155.6
[M+Na]+ 265.11990 162.7
[M-H]- 241.12340 160.9
[M+NH4]+ 260.16450 172.5
[M+K]+ 281.09384 158.6
[M+H-H2O]+ 225.12794 148.3
[M+HCOO]- 287.12888 178.3
[M+CH3COO]- 301.14453 191.8
[M+Na-2H]- 263.10535 160.7
[M]+ 242.13013 157.1
[M]- 242.13123 157.1
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