CID 15683756

41252-79-3

Structural Information

Molecular Formula
C8H8Cl2O
SMILES
C1=CC(=CC=C1C(CO)Cl)Cl
InChI
InChI=1S/C8H8Cl2O/c9-7-3-1-6(2-4-7)8(10)5-11/h1-4,8,11H,5H2
InChIKey
MJAKZPPVNDXPPI-UHFFFAOYSA-N
Compound name
2-chloro-2-(4-chlorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

189.99522 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.002496 133.7
[M+Na]+ 212.984438 142.9
[M-H]- 188.987944 135.5
[M+NH4]+ 208.029043 154.1
[M+K]+ 228.958378 137.8
[M+H-H2O]+ 172.992480 130.5
[M+HCOO]- 234.993421 146.7
[M+CH3COO]- 249.009071 178.4
[M+Na-2H]- 210.969886 138.9
[M]+ 189.99467142 135.6
[M]- 189.99576858 135.6
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