CID 3815894

2-ethoxy-6-fluorobenzaldehyde

Structural Information

Molecular Formula
C9H9FO2
SMILES
CCOC1=C(C(=CC=C1)F)C=O
InChI
InChI=1S/C9H9FO2/c1-2-12-9-5-3-4-8(10)7(9)6-11/h3-6H,2H2,1H3
InChIKey
VHZCPJWEAMDEKL-UHFFFAOYSA-N
Compound name
2-ethoxy-6-fluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

168.05865 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06593 130.1
[M+Na]+ 191.04787 139.7
[M-H]- 167.05137 133.1
[M+NH4]+ 186.09247 151.2
[M+K]+ 207.02181 138.0
[M+H-H2O]+ 151.05591 123.9
[M+HCOO]- 213.05685 154.4
[M+CH3COO]- 227.07250 179.5
[M+Na-2H]- 189.03332 136.5
[M]+ 168.05810 131.9
[M]- 168.05920 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