CID 119002254

2,4-difluoro-6-methylbenzaldehyde

Structural Information

Molecular Formula
C8H6F2O
SMILES
CC1=CC(=CC(=C1C=O)F)F
InChI
InChI=1S/C8H6F2O/c1-5-2-6(9)3-8(10)7(5)4-11/h2-4H,1H3
InChIKey
SRCGXAUPRPXQJG-UHFFFAOYSA-N
Compound name
2,4-difluoro-6-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

156.03867 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04595 131.6
[M+Na]+ 179.02789 144.2
[M+NH4]+ 174.07249 139.2
[M+K]+ 195.00183 137.4
[M-H]- 155.03139 131.2
[M+Na-2H]- 177.01334 137.5
[M]+ 156.03812 133.2
[M]- 156.03922 133.2
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