CID 154575262

2229206-65-7

Structural Information

Molecular Formula
C10H10F2O3
SMILES
COC(=O)C1=CC=C(C=C1)C(CO)(F)F
InChI
InChI=1S/C10H10F2O3/c1-15-9(14)7-2-4-8(5-3-7)10(11,12)6-13/h2-5,13H,6H2,1H3
InChIKey
LHFXVPUSDMDPBC-UHFFFAOYSA-N
Compound name
methyl 4-(1,1-difluoro-2-hydroxyethyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.0598 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.06708 142.4
[M+Na]+ 239.04902 150.4
[M-H]- 215.05252 142.3
[M+NH4]+ 234.09362 160.4
[M+K]+ 255.02296 148.4
[M+H-H2O]+ 199.05706 135.4
[M+HCOO]- 261.05800 161.3
[M+CH3COO]- 275.07365 184.0
[M+Na-2H]- 237.03447 147.2
[M]+ 216.05925 141.2
[M]- 216.06035 141.2
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.