CID 84718022

2-(1-fluorocyclobutyl)benzaldehyde

Structural Information

Molecular Formula
C11H11FO
SMILES
C1CC(C1)(C2=CC=CC=C2C=O)F
InChI
InChI=1S/C11H11FO/c12-11(6-3-7-11)10-5-2-1-4-9(10)8-13/h1-2,4-5,8H,3,6-7H2
InChIKey
REOIFXKFOFXOEW-UHFFFAOYSA-N
Compound name
2-(1-fluorocyclobutyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.07939 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.086666 133.4
[M+Na]+ 201.068608 140.9
[M-H]- 177.072114 139.2
[M+NH4]+ 196.113213 149.1
[M+K]+ 217.042548 141.1
[M+H-H2O]+ 161.076650 122.7
[M+HCOO]- 223.077591 155.2
[M+CH3COO]- 237.093241 183.5
[M+Na-2H]- 199.054056 140.2
[M]+ 178.07884142 140.3
[M]- 178.07993858 140.3
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

No patent data available for this compound.