CID 21707933

3,5-difluorobenzene-1,2-diol

Structural Information

Molecular Formula
C6H4F2O2
SMILES
C1=C(C=C(C(=C1O)O)F)F
InChI
InChI=1S/C6H4F2O2/c7-3-1-4(8)6(10)5(9)2-3/h1-2,9-10H
InChIKey
WDTUVOYCNUIEFT-UHFFFAOYSA-N
Compound name
3,5-difluorobenzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

146.01793 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.02521 121.1
[M+Na]+ 169.00715 131.8
[M-H]- 145.01065 120.7
[M+NH4]+ 164.05175 141.8
[M+K]+ 184.98109 129.0
[M+H-H2O]+ 129.01519 115.1
[M+HCOO]- 191.01613 142.0
[M+CH3COO]- 205.03178 169.9
[M+Na-2H]- 166.99260 126.7
[M]+ 146.01738 117.9
[M]- 146.01848 117.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe