CID 44084

62522-69-4

Structural Information

Molecular Formula
C12H15FO4
SMILES
COC(COC(=O)C1=CC=CC=C1)(CF)OC
InChI
InChI=1S/C12H15FO4/c1-15-12(8-13,16-2)9-17-11(14)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKey
VWKVIUQVIQYURO-UHFFFAOYSA-N
Compound name
(3-fluoro-2,2-dimethoxypropyl) benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

242.09544 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10272 152.3
[M+Na]+ 265.08466 158.8
[M-H]- 241.08816 154.3
[M+NH4]+ 260.12926 169.6
[M+K]+ 281.05860 158.2
[M+H-H2O]+ 225.09270 145.1
[M+HCOO]- 287.09364 173.4
[M+CH3COO]- 301.10929 190.8
[M+Na-2H]- 263.07011 157.9
[M]+ 242.09489 156.0
[M]- 242.09599 156.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.