CID 122402921

1,4-diethyl 2,2-difluoro-3-methylbutanedioate

Structural Information

Molecular Formula
C9H14F2O4
SMILES
CCOC(=O)C(C)C(C(=O)OCC)(F)F
InChI
InChI=1S/C9H14F2O4/c1-4-14-7(12)6(3)9(10,11)8(13)15-5-2/h6H,4-5H2,1-3H3
InChIKey
OODFVRPATPLIRE-UHFFFAOYSA-N
Compound name
diethyl 2,2-difluoro-3-methylbutanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.08601 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.09329 145.9
[M+Na]+ 247.07523 152.4
[M-H]- 223.07873 143.4
[M+NH4]+ 242.11983 164.1
[M+K]+ 263.04917 153.1
[M+H-H2O]+ 207.08327 139.6
[M+HCOO]- 269.08421 163.6
[M+CH3COO]- 283.09986 189.3
[M+Na-2H]- 245.06068 147.6
[M]+ 224.08546 147.7
[M]- 224.08656 147.7
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.