CID 155821207

2374238-08-9

Structural Information

Molecular Formula
C12H11FO2
SMILES
COC(=O)C12CC1(C2)C3=CC(=CC=C3)F
InChI
InChI=1S/C12H11FO2/c1-15-10(14)12-6-11(12,7-12)8-3-2-4-9(13)5-8/h2-5H,6-7H2,1H3
InChIKey
GYLXKMLYGQVWLD-UHFFFAOYSA-N
Compound name
methyl 3-(3-fluorophenyl)bicyclo[1.1.0]butane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.07431 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.08159 153.4
[M+Na]+ 229.06353 162.7
[M-H]- 205.06703 160.6
[M+NH4]+ 224.10813 165.2
[M+K]+ 245.03747 162.9
[M+H-H2O]+ 189.07157 148.5
[M+HCOO]- 251.07251 171.3
[M+CH3COO]- 265.08816 197.3
[M+Na-2H]- 227.04898 158.8
[M]+ 206.07376 159.3
[M]- 206.07486 159.3
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.