CID 82005911

2-(2,2-difluoroethoxy)acetic acid

Structural Information

Molecular Formula
C4H6F2O3
SMILES
C(C(F)F)OCC(=O)O
InChI
InChI=1S/C4H6F2O3/c5-3(6)1-9-2-4(7)8/h3H,1-2H2,(H,7,8)
InChIKey
GQTMDIOFKUTFDR-UHFFFAOYSA-N
Compound name
2-(2,2-difluoroethoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

140.0285 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.035776 122.8
[M+Na]+ 163.017718 130.3
[M-H]- 139.021224 119.3
[M+NH4]+ 158.062323 143.5
[M+K]+ 178.991658 130.5
[M+H-H2O]+ 123.025760 116.8
[M+HCOO]- 185.026701 142.6
[M+CH3COO]- 199.042351 170.7
[M+Na-2H]- 161.003166 126.8
[M]+ 140.02795142 121.3
[M]- 140.02904858 121.3
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

patents stripe