CID 61237618

Dtxsid201202471

Structural Information

Molecular Formula
C10H10F2O4
SMILES
CC(C1=CC(=CC=C1)OC(F)F)(C(=O)O)O
InChI
InChI=1S/C10H10F2O4/c1-10(15,8(13)14)6-3-2-4-7(5-6)16-9(11)12/h2-5,9,15H,1H3,(H,13,14)
InChIKey
CUAQRUWWUCYBHE-UHFFFAOYSA-N
Compound name
2-[3-(difluoromethoxy)phenyl]-2-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.05472 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.06200 145.2
[M+Na]+ 255.04394 152.3
[M-H]- 231.04744 143.7
[M+NH4]+ 250.08854 161.6
[M+K]+ 271.01788 150.5
[M+H-H2O]+ 215.05198 138.3
[M+HCOO]- 277.05292 161.8
[M+CH3COO]- 291.06857 185.2
[M+Na-2H]- 253.02939 148.5
[M]+ 232.05417 143.1
[M]- 232.05527 143.1
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.