CID 3015575

4-chloro-6-tetradecyl-m-cresol

Structural Information

Molecular Formula
C21H35ClO
SMILES
CCCCCCCCCCCCCCC1=C(C=C(C(=C1)Cl)C)O
InChI
InChI=1S/C21H35ClO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-17-20(22)18(2)16-21(19)23/h16-17,23H,3-15H2,1-2H3
InChIKey
CUNQNPBLNXQQNP-UHFFFAOYSA-N
Compound name
4-chloro-5-methyl-2-tetradecylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.23764 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.24492 187.4
[M+Na]+ 361.22686 192.9
[M-H]- 337.23036 188.2
[M+NH4]+ 356.27146 202.2
[M+K]+ 377.20080 185.6
[M+H-H2O]+ 321.23490 181.1
[M+HCOO]- 383.23584 202.1
[M+CH3COO]- 397.25149 213.9
[M+Na-2H]- 359.21231 186.1
[M]+ 338.23709 194.4
[M]- 338.23819 194.4
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.