CID 132343828

Ethyl 4-chloro-3,3-difluorobutanoate

Structural Information

Molecular Formula
C6H9ClF2O2
SMILES
CCOC(=O)CC(CCl)(F)F
InChI
InChI=1S/C6H9ClF2O2/c1-2-11-5(10)3-6(8,9)4-7/h2-4H2,1H3
InChIKey
ZWTTYVQTFNGJQS-UHFFFAOYSA-N
Compound name
ethyl 4-chloro-3,3-difluorobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.02591 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.03319 132.6
[M+Na]+ 209.01513 141.3
[M-H]- 185.01863 130.5
[M+NH4]+ 204.05973 153.5
[M+K]+ 224.98907 139.2
[M+H-H2O]+ 169.02317 127.8
[M+HCOO]- 231.02411 148.1
[M+CH3COO]- 245.03976 180.0
[M+Na-2H]- 207.00058 137.8
[M]+ 186.02536 134.4
[M]- 186.02646 134.4
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.