CID 84221902

1-(3,5-dichlorophenyl)ethane-1,2-diol

Structural Information

Molecular Formula
C8H8Cl2O2
SMILES
C1=C(C=C(C=C1Cl)Cl)C(CO)O
InChI
InChI=1S/C8H8Cl2O2/c9-6-1-5(8(12)4-11)2-7(10)3-6/h1-3,8,11-12H,4H2
InChIKey
ZBSQIDHJYGHSTA-UHFFFAOYSA-N
Compound name
1-(3,5-dichlorophenyl)ethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.99013 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.99741 136.0
[M+Na]+ 228.97935 145.8
[M-H]- 204.98285 137.0
[M+NH4]+ 224.02395 155.4
[M+K]+ 244.95329 140.4
[M+H-H2O]+ 188.98739 133.3
[M+HCOO]- 250.98833 147.9
[M+CH3COO]- 265.00398 179.0
[M+Na-2H]- 226.96480 140.2
[M]+ 205.98958 138.0
[M]- 205.99068 138.0
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.