CID 118571

4-chloro-2-tetradecylphenol

Structural Information

Molecular Formula
C20H33ClO
SMILES
CCCCCCCCCCCCCCC1=C(C=CC(=C1)Cl)O
InChI
InChI=1S/C20H33ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-17-19(21)15-16-20(18)22/h15-17,22H,2-14H2,1H3
InChIKey
VKSJURFRQSREMB-UHFFFAOYSA-N
Compound name
4-chloro-2-tetradecylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.222 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.22928 183.4
[M+Na]+ 347.21122 188.3
[M-H]- 323.21472 183.9
[M+NH4]+ 342.25582 198.3
[M+K]+ 363.18516 181.2
[M+H-H2O]+ 307.21926 176.9
[M+HCOO]- 369.22020 198.4
[M+CH3COO]- 383.23585 209.8
[M+Na-2H]- 345.19667 183.2
[M]+ 324.22145 189.6
[M]- 324.22255 189.6
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.