CID 135290733

4-ethynyl-2,6-difluorobenzaldehyde

Structural Information

Molecular Formula
C9H4F2O
SMILES
C#CC1=CC(=C(C(=C1)F)C=O)F
InChI
InChI=1S/C9H4F2O/c1-2-6-3-8(10)7(5-12)9(11)4-6/h1,3-5H
InChIKey
DCUWLTNVJKUHCB-UHFFFAOYSA-N
Compound name
4-ethynyl-2,6-difluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

166.02303 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.030306 125.5
[M+Na]+ 189.012248 138.3
[M-H]- 165.015754 126.2
[M+NH4]+ 184.056853 144.4
[M+K]+ 204.986188 134.0
[M+H-H2O]+ 149.020290 113.2
[M+HCOO]- 211.021231 143.0
[M+CH3COO]- 225.036881 188.0
[M+Na-2H]- 186.997696 130.1
[M]+ 166.02248142 119.1
[M]- 166.02357858 119.1
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