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]+ 186.072496 133.5
[M+Na]+ 208.054438 143.4
[M-H]- 184.057944 136.8
[M+NH4]+ 203.099043 154.4
[M+K]+ 224.028378 142.0
[M+H-H2O]+ 168.062480 126.1
[M+HCOO]- 230.063421 157.9
[M+CH3COO]- 244.079071 189.7
[M+Na-2H]- 206.039886 138.1
[M]+ 185.06467142 133.5
[M]- 185.06576858 133.5
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