CID 54556404

4-(2-fluorophenyl)butanal

Structural Information

Molecular Formula
C10H11FO
SMILES
C1=CC=C(C(=C1)CCCC=O)F
InChI
InChI=1S/C10H11FO/c11-10-7-2-1-5-9(10)6-3-4-8-12/h1-2,5,7-8H,3-4,6H2
InChIKey
HSBGTPQYNCFXGT-UHFFFAOYSA-N
Compound name
4-(2-fluorophenyl)butanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

166.07939 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08667 132.3
[M+Na]+ 189.06861 140.6
[M-H]- 165.07211 134.7
[M+NH4]+ 184.11321 153.1
[M+K]+ 205.04255 138.0
[M+H-H2O]+ 149.07665 125.8
[M+HCOO]- 211.07759 156.0
[M+CH3COO]- 225.09324 179.4
[M+Na-2H]- 187.05406 138.8
[M]+ 166.07884 132.6
[M]- 166.07994 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