CID 6452319

Einecs 256-901-6

Structural Information

Molecular Formula
C21H26Cl2O2
SMILES
CC1=C(C(=CC(=C1CC2=C(C=C(C(=C2C)Cl)C(C)C)O)O)C(C)C)Cl
InChI
InChI=1S/C21H26Cl2O2/c1-10(2)14-8-18(24)16(12(5)20(14)22)7-17-13(6)21(23)15(11(3)4)9-19(17)25/h8-11,24-25H,7H2,1-6H3
InChIKey
XNZXHUFTLHPYJI-UHFFFAOYSA-N
Compound name
4-chloro-2-[(3-chloro-6-hydroxy-2-methyl-4-propan-2-ylphenyl)methyl]-3-methyl-5-propan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.13098 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.13826 184.8
[M+Na]+ 403.12020 195.3
[M-H]- 379.12370 189.4
[M+NH4]+ 398.16480 198.6
[M+K]+ 419.09414 188.0
[M+H-H2O]+ 363.12824 180.4
[M+HCOO]- 425.12918 192.9
[M+CH3COO]- 439.14483 221.2
[M+Na-2H]- 401.10565 179.6
[M]+ 380.13043 191.3
[M]- 380.13153 191.3
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.