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

14
Patents

180.05865 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.065926 131.1
[M+Na]+ 203.047868 142.4
[M-H]- 179.051374 137.0
[M+NH4]+ 198.092473 146.2
[M+K]+ 219.021808 138.4
[M+H-H2O]+ 163.055910 124.4
[M+HCOO]- 225.056851 153.9
[M+CH3COO]- 239.072501 182.9
[M+Na-2H]- 201.033316 136.4
[M]+ 180.05810142 132.9
[M]- 180.05919858 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