CID 136575791

2,2-difluoro-2-(4-methoxyoxan-4-yl)acetic acid

Structural Information

Molecular Formula
C8H12F2O4
SMILES
COC1(CCOCC1)C(C(=O)O)(F)F
InChI
InChI=1S/C8H12F2O4/c1-13-7(2-4-14-5-3-7)8(9,10)6(11)12/h2-5H2,1H3,(H,11,12)
InChIKey
ZFCMUAMIUZHXTA-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-(4-methoxyoxan-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.07036 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.07764 140.8
[M+Na]+ 233.05958 146.5
[M-H]- 209.06308 140.5
[M+NH4]+ 228.10418 159.1
[M+K]+ 249.03352 147.4
[M+H-H2O]+ 193.06762 134.9
[M+HCOO]- 255.06856 155.4
[M+CH3COO]- 269.08421 180.3
[M+Na-2H]- 231.04503 147.0
[M]+ 210.06981 136.8
[M]- 210.07091 136.8
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.