CID 588088

3,4-difluorobenzaldehyde

Structural Information

Molecular Formula
C7H4F2O
SMILES
C1=CC(=C(C=C1C=O)F)F
InChI
InChI=1S/C7H4F2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4H
InChIKey
JPHKMYXKNKLNDF-UHFFFAOYSA-N
Compound name
3,4-difluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4256
Patents

142.02303 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.030306 120.0
[M+Na]+ 165.012248 130.6
[M-H]- 141.015754 122.0
[M+NH4]+ 160.056853 142.1
[M+K]+ 180.986188 128.4
[M+H-H2O]+ 125.020290 113.5
[M+HCOO]- 187.021231 143.7
[M+CH3COO]- 201.036881 174.2
[M+Na-2H]- 162.997696 127.0
[M]+ 142.02248142 118.5
[M]- 142.02357858 118.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe