CID 46311635

3-(difluoromethoxy)-2-fluorobenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.02417 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.03145 131.3
[M+Na]+ 213.01339 141.1
[M-H]- 189.01689 131.6
[M+NH4]+ 208.05799 151.1
[M+K]+ 228.98733 139.1
[M+H-H2O]+ 173.02143 123.2
[M+HCOO]- 235.02237 152.6
[M+CH3COO]- 249.03802 182.9
[M+Na-2H]- 210.99884 135.7
[M]+ 190.02362 129.6
[M]- 190.02472 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

No patent data available for this compound.