CID 53249434

Dtxsid60692960

Structural Information

Molecular Formula
C10H7F5O2
SMILES
CCC(=O)OC(C1=C(C(=C(C=C1)F)F)F)(F)F
InChI
InChI=1S/C10H7F5O2/c1-2-7(16)17-10(14,15)5-3-4-6(11)9(13)8(5)12/h3-4H,2H2,1H3
InChIKey
UVKZXIBVKDBQKE-UHFFFAOYSA-N
Compound name
[difluoro-(2,3,4-trifluorophenyl)methyl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.03662 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.04390 146.1
[M+Na]+ 277.02584 156.6
[M-H]- 253.02934 144.1
[M+NH4]+ 272.07044 163.6
[M+K]+ 292.99978 153.7
[M+H-H2O]+ 237.03388 136.6
[M+HCOO]- 299.03482 163.0
[M+CH3COO]- 313.05047 195.5
[M+Na-2H]- 275.01129 148.2
[M]+ 254.03607 142.3
[M]- 254.03717 142.3
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.