CID 63893689

1-(2,6-dichlorophenyl)-2-methylpropan-1-ol

Structural Information

Molecular Formula
C10H12Cl2O
SMILES
CC(C)C(C1=C(C=CC=C1Cl)Cl)O
InChI
InChI=1S/C10H12Cl2O/c1-6(2)10(13)9-7(11)4-3-5-8(9)12/h3-6,10,13H,1-2H3
InChIKey
UCJBRPKLZHWHEM-UHFFFAOYSA-N
Compound name
1-(2,6-dichlorophenyl)-2-methylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

218.02652 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.033796 141.7
[M+Na]+ 241.015738 150.8
[M-H]- 217.019244 143.7
[M+NH4]+ 236.060343 161.3
[M+K]+ 256.989678 145.7
[M+H-H2O]+ 201.023780 138.5
[M+HCOO]- 263.024721 153.2
[M+CH3COO]- 277.040371 186.3
[M+Na-2H]- 239.001186 144.1
[M]+ 218.02597142 144.2
[M]- 218.02706858 144.2
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