CID 13216693

2-(3,4-dichlorophenyl)-2-methylpropan-1-ol

Structural Information

Molecular Formula
C10H12Cl2O
SMILES
CC(C)(CO)C1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C10H12Cl2O/c1-10(2,6-13)7-3-4-8(11)9(12)5-7/h3-5,13H,6H2,1-2H3
InChIKey
GUHOWZVXOOXDNA-UHFFFAOYSA-N
Compound name
2-(3,4-dichlorophenyl)-2-methylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

218.02652 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.033796 143.1
[M+Na]+ 241.015738 153.2
[M-H]- 217.019244 145.4
[M+NH4]+ 236.060343 163.0
[M+K]+ 256.989678 147.6
[M+H-H2O]+ 201.023780 140.1
[M+HCOO]- 263.024721 154.9
[M+CH3COO]- 277.040371 185.0
[M+Na-2H]- 239.001186 148.4
[M]+ 218.02597142 146.2
[M]- 218.02706858 146.2
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