CID 12927167

83124-53-2

Structural Information

Molecular Formula
C6H9ClF2O2
SMILES
CCOC(=O)C(C(C)(F)F)Cl
InChI
InChI=1S/C6H9ClF2O2/c1-3-11-5(10)4(7)6(2,8)9/h4H,3H2,1-2H3
InChIKey
VSTVDNSUGRBIKT-UHFFFAOYSA-N
Compound name
ethyl 2-chloro-3,3-difluorobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.02591 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.03319 132.0
[M+Na]+ 209.01513 140.5
[M-H]- 185.01863 130.0
[M+NH4]+ 204.05973 152.8
[M+K]+ 224.98907 138.9
[M+H-H2O]+ 169.02317 127.4
[M+HCOO]- 231.02411 146.6
[M+CH3COO]- 245.03976 180.9
[M+Na-2H]- 207.00058 136.0
[M]+ 186.02536 133.2
[M]- 186.02646 133.2
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.