CID 23114898

4-ethyl-3-fluorobenzaldehyde

Structural Information

Molecular Formula
C9H9FO
SMILES
CCC1=C(C=C(C=C1)C=O)F
InChI
InChI=1S/C9H9FO/c1-2-8-4-3-7(6-11)5-9(8)10/h3-6H,2H2,1H3
InChIKey
VWIXGSHCRPUMFL-UHFFFAOYSA-N
Compound name
4-ethyl-3-fluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

152.06374 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.07102 126.7
[M+Na]+ 175.05296 136.4
[M-H]- 151.05646 129.7
[M+NH4]+ 170.09756 148.5
[M+K]+ 191.02690 134.1
[M+H-H2O]+ 135.06100 120.8
[M+HCOO]- 197.06194 150.7
[M+CH3COO]- 211.07759 177.5
[M+Na-2H]- 173.03841 133.2
[M]+ 152.06319 127.0
[M]- 152.06429 127.0
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