CID 21715779

159276-63-8

Structural Information

Molecular Formula
C9H4F4O3
SMILES
C1=CC2=C(C=C1C=O)OC(C(O2)(F)F)(F)F
InChI
InChI=1S/C9H4F4O3/c10-8(11)9(12,13)16-7-3-5(4-14)1-2-6(7)15-8/h1-4H
InChIKey
WQTQOBVIERTDBA-UHFFFAOYSA-N
Compound name
2,2,3,3-tetrafluoro-1,4-benzodioxine-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

236.00966 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.01694 139.5
[M+Na]+ 258.99888 151.8
[M-H]- 235.00238 141.4
[M+NH4]+ 254.04348 160.0
[M+K]+ 274.97282 151.3
[M+H-H2O]+ 219.00692 131.4
[M+HCOO]- 281.00786 155.8
[M+CH3COO]- 295.02351 188.8
[M+Na-2H]- 256.98433 148.6
[M]+ 236.00911 137.6
[M]- 236.01021 137.6
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