CID 57434347

3-cyclopropyl-4-fluorobenzaldehyde

Structural Information

Molecular Formula
C10H9FO
SMILES
C1CC1C2=C(C=CC(=C2)C=O)F
InChI
InChI=1S/C10H9FO/c11-10-4-1-7(6-12)5-9(10)8-2-3-8/h1,4-6,8H,2-3H2
InChIKey
LVVBPBKJOBKDKL-UHFFFAOYSA-N
Compound name
3-cyclopropyl-4-fluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

164.06374 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.071016 128.5
[M+Na]+ 187.052958 139.5
[M-H]- 163.056464 135.4
[M+NH4]+ 182.097563 144.7
[M+K]+ 203.026898 136.1
[M+H-H2O]+ 147.061000 121.4
[M+HCOO]- 209.061941 152.7
[M+CH3COO]- 223.077591 182.4
[M+Na-2H]- 185.038406 135.0
[M]+ 164.06319142 130.3
[M]- 164.06428858 130.3
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