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

11
Patents

218.02652 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.03380 143.1
[M+Na]+ 241.01574 153.2
[M-H]- 217.01924 145.4
[M+NH4]+ 236.06034 163.0
[M+K]+ 256.98968 147.6
[M+H-H2O]+ 201.02378 140.1
[M+HCOO]- 263.02472 154.9
[M+CH3COO]- 277.04037 185.0
[M+Na-2H]- 239.00119 148.4
[M]+ 218.02597 146.2
[M]- 218.02707 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