CID 11074155

157437-25-7

Structural Information

Molecular Formula
C8H6F2O3
SMILES
C1=CC(=C2C(=C1)OC(O2)(F)F)CO
InChI
InChI=1S/C8H6F2O3/c9-8(10)12-6-3-1-2-5(4-11)7(6)13-8/h1-3,11H,4H2
InChIKey
VHULACBMFYTQMM-UHFFFAOYSA-N
Compound name
(2,2-difluoro-1,3-benzodioxol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

188.0285 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.035776 130.9
[M+Na]+ 211.017718 141.7
[M-H]- 187.021224 133.7
[M+NH4]+ 206.062323 152.5
[M+K]+ 226.991658 141.4
[M+H-H2O]+ 171.025760 125.4
[M+HCOO]- 233.026701 150.2
[M+CH3COO]- 247.042351 176.9
[M+Na-2H]- 209.003166 139.5
[M]+ 188.02795142 131.2
[M]- 188.02904858 131.2
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