CID 119091458

4-(4-chlorophenoxy)benzene-1,2-diol

Structural Information

Molecular Formula
C12H9ClO3
SMILES
C1=CC(=CC=C1OC2=CC(=C(C=C2)O)O)Cl
InChI
InChI=1S/C12H9ClO3/c13-8-1-3-9(4-2-8)16-10-5-6-11(14)12(15)7-10/h1-7,14-15H
InChIKey
NXEFITSLDMUKDW-UHFFFAOYSA-N
Compound name
4-(4-chlorophenoxy)benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

236.02402 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.031296 146.0
[M+Na]+ 259.013238 156.1
[M-H]- 235.016744 151.0
[M+NH4]+ 254.057843 163.7
[M+K]+ 274.987178 150.9
[M+H-H2O]+ 219.021280 140.6
[M+HCOO]- 281.022221 164.2
[M+CH3COO]- 295.037871 184.3
[M+Na-2H]- 256.998686 151.8
[M]+ 236.02347142 148.4
[M]- 236.02456858 148.4
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