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

6
Patents

338.23764 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.244916 187.4
[M+Na]+ 361.226858 192.9
[M-H]- 337.230364 188.2
[M+NH4]+ 356.271463 202.2
[M+K]+ 377.200798 185.6
[M+H-H2O]+ 321.234900 181.1
[M+HCOO]- 383.235841 202.1
[M+CH3COO]- 397.251491 213.9
[M+Na-2H]- 359.212306 186.1
[M]+ 338.23709142 194.4
[M]- 338.23818858 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

patents stripe