CID 58423177

3-ethoxy-2-fluorobenzaldehyde

Structural Information

Molecular Formula
C9H9FO2
SMILES
CCOC1=CC=CC(=C1F)C=O
InChI
InChI=1S/C9H9FO2/c1-2-12-8-5-3-4-7(6-11)9(8)10/h3-6H,2H2,1H3
InChIKey
NMKZYUJCLQVHSM-UHFFFAOYSA-N
Compound name
3-ethoxy-2-fluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

168.05865 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.065926 130.1
[M+Na]+ 191.047868 139.7
[M-H]- 167.051374 133.1
[M+NH4]+ 186.092473 151.2
[M+K]+ 207.021808 138.0
[M+H-H2O]+ 151.055910 123.9
[M+HCOO]- 213.056851 154.4
[M+CH3COO]- 227.072501 179.5
[M+Na-2H]- 189.033316 136.5
[M]+ 168.05810142 131.9
[M]- 168.05919858 131.9
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