CID 87705345

2-fluoro-4-(prop-2-yn-1-yloxy)benzaldehyde

Structural Information

Molecular Formula
C10H7FO2
SMILES
C#CCOC1=CC(=C(C=C1)C=O)F
InChI
InChI=1S/C10H7FO2/c1-2-5-13-9-4-3-8(7-12)10(11)6-9/h1,3-4,6-7H,5H2
InChIKey
OXLMVZLISNOEKS-UHFFFAOYSA-N
Compound name
2-fluoro-4-prop-2-ynoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

178.04301 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.05029 132.1
[M+Na]+ 201.03223 143.8
[M-H]- 177.03573 133.6
[M+NH4]+ 196.07683 150.3
[M+K]+ 217.00617 139.8
[M+H-H2O]+ 161.04027 120.0
[M+HCOO]- 223.04121 150.4
[M+CH3COO]- 237.05686 189.0
[M+Na-2H]- 199.01768 137.2
[M]+ 178.04246 128.1
[M]- 178.04356 128.1
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