CID 52833

Phenol, 2,6-dichloro-4-octyl-

Structural Information

Molecular Formula
C14H20Cl2O
SMILES
CCCCCCCCC1=CC(=C(C(=C1)Cl)O)Cl
InChI
InChI=1S/C14H20Cl2O/c1-2-3-4-5-6-7-8-11-9-12(15)14(17)13(16)10-11/h9-10,17H,2-8H2,1H3
InChIKey
PJUWJQDQGVXGEI-UHFFFAOYSA-N
Compound name
2,6-dichloro-4-octylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

274.0891 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.09638 160.8
[M+Na]+ 297.07832 169.6
[M-H]- 273.08182 162.2
[M+NH4]+ 292.12292 178.6
[M+K]+ 313.05226 162.7
[M+H-H2O]+ 257.08636 156.7
[M+HCOO]- 319.08730 172.8
[M+CH3COO]- 333.10295 197.5
[M+Na-2H]- 295.06377 162.6
[M]+ 274.08855 166.2
[M]- 274.08965 166.2
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