CID 53315152

4-(dimethylamino)-2,5-difluorobenzaldehyde

Structural Information

Molecular Formula
C9H9F2NO
SMILES
CN(C)C1=C(C=C(C(=C1)F)C=O)F
InChI
InChI=1S/C9H9F2NO/c1-12(2)9-4-7(10)6(5-13)3-8(9)11/h3-5H,1-2H3
InChIKey
LYZXAPALPIXQRZ-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-2,5-difluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

185.06522 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.07250 138.9
[M+Na]+ 208.05444 150.2
[M+NH4]+ 203.09904 146.1
[M+K]+ 224.02838 144.2
[M-H]- 184.05794 139.0
[M+Na-2H]- 206.03989 144.5
[M]+ 185.06467 140.4
[M]- 185.06577 140.4
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