CID 22902969

2-ethyl-3-fluorobenzaldehyde

Structural Information

Molecular Formula
C9H9FO
SMILES
CCC1=C(C=CC=C1F)C=O
InChI
InChI=1S/C9H9FO/c1-2-8-7(6-11)4-3-5-9(8)10/h3-6H,2H2,1H3
InChIKey
WVHOWNCRVJLDKV-UHFFFAOYSA-N
Compound name
2-ethyl-3-fluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

152.06374 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.071016 126.7
[M+Na]+ 175.052958 136.4
[M-H]- 151.056464 129.7
[M+NH4]+ 170.097563 148.5
[M+K]+ 191.026898 134.1
[M+H-H2O]+ 135.061000 120.8
[M+HCOO]- 197.061941 150.7
[M+CH3COO]- 211.077591 177.5
[M+Na-2H]- 173.038406 133.2
[M]+ 152.06319142 127.0
[M]- 152.06428858 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