CID 22945769

4-(4-fluorophenyl)butanal

Structural Information

Molecular Formula
C10H11FO
SMILES
C1=CC(=CC=C1CCCC=O)F
InChI
InChI=1S/C10H11FO/c11-10-6-4-9(5-7-10)3-1-2-8-12/h4-8H,1-3H2
InChIKey
OEHFPKZFDGRMGH-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)butanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

166.07939 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.086666 132.3
[M+Na]+ 189.068608 140.6
[M-H]- 165.072114 134.7
[M+NH4]+ 184.113213 153.1
[M+K]+ 205.042548 138.0
[M+H-H2O]+ 149.076650 125.8
[M+HCOO]- 211.077591 156.0
[M+CH3COO]- 225.093241 179.4
[M+Na-2H]- 187.054056 138.8
[M]+ 166.07884142 132.6
[M]- 166.07993858 132.6
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