CID 46311644

2-(difluoromethoxy)-5-fluorobenzaldehyde

Structural Information

Molecular Formula
C8H5F3O2
SMILES
C1=CC(=C(C=C1F)C=O)OC(F)F
InChI
InChI=1S/C8H5F3O2/c9-6-1-2-7(13-8(10)11)5(3-6)4-12/h1-4,8H
InChIKey
GUZRILZWIBSBAR-UHFFFAOYSA-N
Compound name
2-(difluoromethoxy)-5-fluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

190.02417 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.031446 131.3
[M+Na]+ 213.013388 141.1
[M-H]- 189.016894 131.6
[M+NH4]+ 208.057993 151.1
[M+K]+ 228.987328 139.1
[M+H-H2O]+ 173.021430 123.2
[M+HCOO]- 235.022371 152.6
[M+CH3COO]- 249.038021 182.9
[M+Na-2H]- 210.998836 135.7
[M]+ 190.02362142 129.6
[M]- 190.02471858 129.6
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