CID 86652255

2-(difluoromethyl)-4-fluorobenzaldehyde

Structural Information

Molecular Formula
C8H5F3O
SMILES
C1=CC(=C(C=C1F)C(F)F)C=O
InChI
InChI=1S/C8H5F3O/c9-6-2-1-5(4-12)7(3-6)8(10)11/h1-4,8H
InChIKey
AUOQUJCFZDEZSW-UHFFFAOYSA-N
Compound name
2-(difluoromethyl)-4-fluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

174.02925 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.03653 138.2
[M+Na]+ 197.01847 148.5
[M+NH4]+ 192.06307 144.5
[M+K]+ 212.99241 142.6
[M-H]- 173.02197 135.9
[M+Na-2H]- 195.00392 142.7
[M]+ 174.02870 138.7
[M]- 174.02980 138.7
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