CID 588160

3,5-difluorobenzaldehyde

Structural Information

Molecular Formula
C7H4F2O
SMILES
C1=C(C=C(C=C1F)F)C=O
InChI
InChI=1S/C7H4F2O/c8-6-1-5(4-10)2-7(9)3-6/h1-4H
InChIKey
ASOFZHSTJHGQDT-UHFFFAOYSA-N
Compound name
3,5-difluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2680
Patents

142.02303 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.03031 120.0
[M+Na]+ 165.01225 130.6
[M-H]- 141.01575 122.0
[M+NH4]+ 160.05685 142.1
[M+K]+ 180.98619 128.4
[M+H-H2O]+ 125.02029 113.5
[M+HCOO]- 187.02123 143.7
[M+CH3COO]- 201.03688 174.2
[M+Na-2H]- 162.99770 127.0
[M]+ 142.02248 118.5
[M]- 142.02358 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