CID 73949358

4-(difluoromethyl)-2-fluorobenzaldehyde

Structural Information

Molecular Formula
C8H5F3O
SMILES
C1=CC(=C(C=C1C(F)F)F)C=O
InChI
InChI=1S/C8H5F3O/c9-7-3-5(8(10)11)1-2-6(7)4-12/h1-4,8H
InChIKey
UHIIEVZNTMPDKA-UHFFFAOYSA-N
Compound name
4-(difluoromethyl)-2-fluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
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 127.9
[M+Na]+ 197.01847 137.8
[M-H]- 173.02197 128.3
[M+NH4]+ 192.06307 148.5
[M+K]+ 212.99241 135.3
[M+H-H2O]+ 157.02651 120.2
[M+HCOO]- 219.02745 149.1
[M+CH3COO]- 233.04310 180.9
[M+Na-2H]- 195.00392 132.4
[M]+ 174.02870 124.8
[M]- 174.02980 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