CID 67356342

2,2-difluorobenzo[d][1,3]dioxol-5-ol

Structural Information

Molecular Formula
C7H4F2O3
SMILES
C1=CC2=C(C=C1O)OC(O2)(F)F
InChI
InChI=1S/C7H4F2O3/c8-7(9)11-5-2-1-4(10)3-6(5)12-7/h1-3,10H
InChIKey
GEHVTOIGEVNIEQ-UHFFFAOYSA-N
Compound name
2,2-difluoro-1,3-benzodioxol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

222
Patents

174.01285 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.02013 126.0
[M+Na]+ 197.00207 137.3
[M-H]- 173.00557 129.0
[M+NH4]+ 192.04667 148.2
[M+K]+ 212.97601 137.2
[M+H-H2O]+ 157.01011 120.8
[M+HCOO]- 219.01105 145.7
[M+CH3COO]- 233.02670 173.9
[M+Na-2H]- 194.98752 135.2
[M]+ 174.01230 126.0
[M]- 174.01340 126.0
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