CID 63900328

1-(3,5-dichlorophenyl)-2-methylpropan-1-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.02652 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.03380 141.7
[M+Na]+ 241.01574 150.8
[M-H]- 217.01924 143.7
[M+NH4]+ 236.06034 161.3
[M+K]+ 256.98968 145.7
[M+H-H2O]+ 201.02378 138.5
[M+HCOO]- 263.02472 153.2
[M+CH3COO]- 277.04037 186.3
[M+Na-2H]- 239.00119 144.1
[M]+ 218.02597 144.2
[M]- 218.02707 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

No patent data available for this compound.