CID 34045

Brn 1589743

Structural Information

Molecular Formula
C15H15FO3
SMILES
C#CCOCC1COC(=O)C1CC2=CC=C(C=C2)F
InChI
InChI=1S/C15H15FO3/c1-2-7-18-9-12-10-19-15(17)14(12)8-11-3-5-13(16)6-4-11/h1,3-6,12,14H,7-10H2
InChIKey
ZDZYVGFZODKQCD-UHFFFAOYSA-N
Compound name
3-[(4-fluorophenyl)methyl]-4-(prop-2-ynoxymethyl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.10052 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.10780 154.3
[M+Na]+ 285.08974 164.6
[M-H]- 261.09324 157.9
[M+NH4]+ 280.13434 169.6
[M+K]+ 301.06368 159.6
[M+H-H2O]+ 245.09778 141.0
[M+HCOO]- 307.09872 169.8
[M+CH3COO]- 321.11437 202.0
[M+Na-2H]- 283.07519 155.3
[M]+ 262.09997 149.8
[M]- 262.10107 149.8
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.