CID 5274978

5-heptyl-2-phenoxy-phenol

Structural Information

Molecular Formula
C19H24O2
SMILES
CCCCCCCC1=CC(=C(C=C1)OC2=CC=CC=C2)O
InChI
InChI=1S/C19H24O2/c1-2-3-4-5-7-10-16-13-14-19(18(20)15-16)21-17-11-8-6-9-12-17/h6,8-9,11-15,20H,2-5,7,10H2,1H3
InChIKey
CMFHHAXDMCIXQW-UHFFFAOYSA-N
Compound name
5-heptyl-2-phenoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.17764 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.18492 169.5
[M+Na]+ 307.16686 175.2
[M-H]- 283.17036 174.2
[M+NH4]+ 302.21146 184.6
[M+K]+ 323.14080 170.4
[M+H-H2O]+ 267.17490 161.4
[M+HCOO]- 329.17584 191.1
[M+CH3COO]- 343.19149 200.7
[M+Na-2H]- 305.15231 172.9
[M]+ 284.17709 172.0
[M]- 284.17819 172.0
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

No patent data available for this compound.