CID 212013

23802-21-3

Structural Information

Molecular Formula
C17H18Cl2O
SMILES
CCC(C)C1=CC(=C(C=C1)O)CC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C17H18Cl2O/c1-3-11(2)13-5-7-17(20)14(10-13)8-12-4-6-15(18)16(19)9-12/h4-7,9-11,20H,3,8H2,1-2H3
InChIKey
ZGAQOIQSCCPGHY-UHFFFAOYSA-N
Compound name
4-butan-2-yl-2-[(3,4-dichlorophenyl)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

308.07346 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.08074 167.6
[M+Na]+ 331.06268 177.1
[M-H]- 307.06618 172.5
[M+NH4]+ 326.10728 183.8
[M+K]+ 347.03662 169.7
[M+H-H2O]+ 291.07072 162.3
[M+HCOO]- 353.07166 179.1
[M+CH3COO]- 367.08731 204.0
[M+Na-2H]- 329.04813 168.4
[M]+ 308.07291 171.8
[M]- 308.07401 171.8
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