CID 10679600

641631-96-1

Structural Information

Molecular Formula
C9H8F2O3
SMILES
C1=CC2=C(C=C1CCO)OC(O2)(F)F
InChI
InChI=1S/C9H8F2O3/c10-9(11)13-7-2-1-6(3-4-12)5-8(7)14-9/h1-2,5,12H,3-4H2
InChIKey
POAQIUVPNLFVQX-UHFFFAOYSA-N
Compound name
2-(2,2-difluoro-1,3-benzodioxol-5-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

202.04414 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.051416 135.7
[M+Na]+ 225.033358 146.1
[M-H]- 201.036864 138.3
[M+NH4]+ 220.077963 156.8
[M+K]+ 241.007298 145.5
[M+H-H2O]+ 185.041400 130.1
[M+HCOO]- 247.042341 154.7
[M+CH3COO]- 261.057991 179.9
[M+Na-2H]- 223.018806 143.7
[M]+ 202.04359142 136.4
[M]- 202.04468858 136.4
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