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

3
Patents

189.99522 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.00250 133.7
[M+Na]+ 212.98444 142.9
[M-H]- 188.98794 135.5
[M+NH4]+ 208.02904 154.1
[M+K]+ 228.95838 137.8
[M+H-H2O]+ 172.99248 130.5
[M+HCOO]- 234.99342 146.7
[M+CH3COO]- 249.00907 178.4
[M+Na-2H]- 210.96989 138.9
[M]+ 189.99467 135.6
[M]- 189.99577 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