CID 105437457

2137073-08-4

Structural Information

Molecular Formula
C11H11FO
SMILES
C1C(CC1(C=O)C2=CC=CC=C2)F
InChI
InChI=1S/C11H11FO/c12-10-6-11(7-10,8-13)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2
InChIKey
GRZFRYPIOPPFTF-UHFFFAOYSA-N
Compound name
3-fluoro-1-phenylcyclobutane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.07939 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08667 133.4
[M+Na]+ 201.06861 140.9
[M-H]- 177.07211 139.2
[M+NH4]+ 196.11321 149.1
[M+K]+ 217.04255 141.1
[M+H-H2O]+ 161.07665 122.7
[M+HCOO]- 223.07759 155.2
[M+CH3COO]- 237.09324 183.5
[M+Na-2H]- 199.05406 140.2
[M]+ 178.07884 140.3
[M]- 178.07994 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.