CID 90423572

4-cyclopropyl-3-fluoro-2-hydroxybenzaldehyde

Structural Information

Molecular Formula
C10H9FO2
SMILES
C1CC1C2=C(C(=C(C=C2)C=O)O)F
InChI
InChI=1S/C10H9FO2/c11-9-8(6-1-2-6)4-3-7(5-12)10(9)13/h3-6,13H,1-2H2
InChIKey
QEOGPTYDLCRKKN-UHFFFAOYSA-N
Compound name
4-cyclopropyl-3-fluoro-2-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

180.05865 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06593 131.1
[M+Na]+ 203.04787 142.4
[M-H]- 179.05137 137.0
[M+NH4]+ 198.09247 146.2
[M+K]+ 219.02181 138.4
[M+H-H2O]+ 163.05591 124.4
[M+HCOO]- 225.05685 153.9
[M+CH3COO]- 239.07250 182.9
[M+Na-2H]- 201.03332 136.4
[M]+ 180.05810 132.9
[M]- 180.05920 132.9
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