CID 13084216

1-(2,4-dichlorophenyl)ethane-1,2-diol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

205.99013 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.997406 136.0
[M+Na]+ 228.979348 145.8
[M-H]- 204.982854 137.0
[M+NH4]+ 224.023953 155.4
[M+K]+ 244.953288 140.4
[M+H-H2O]+ 188.987390 133.3
[M+HCOO]- 250.988331 147.9
[M+CH3COO]- 265.003981 179.0
[M+Na-2H]- 226.964796 140.2
[M]+ 205.98958142 138.0
[M]- 205.99067858 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

patents stripe