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

70
Patents

174.02925 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.036526 127.9
[M+Na]+ 197.018468 137.8
[M-H]- 173.021974 128.3
[M+NH4]+ 192.063073 148.5
[M+K]+ 212.992408 135.3
[M+H-H2O]+ 157.026510 120.2
[M+HCOO]- 219.027451 149.1
[M+CH3COO]- 233.043101 180.9
[M+Na-2H]- 195.003916 132.4
[M]+ 174.02870142 124.8
[M]- 174.02979858 124.8
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