CID 43651994

2-(3,5-dichlorophenoxy)-2,2-difluoroacetic acid

Structural Information

Molecular Formula
C8H4Cl2F2O3
SMILES
C1=C(C=C(C=C1Cl)Cl)OC(C(=O)O)(F)F
InChI
InChI=1S/C8H4Cl2F2O3/c9-4-1-5(10)3-6(2-4)15-8(11,12)7(13)14/h1-3H,(H,13,14)
InChIKey
HDPFIVBWVDWCFF-UHFFFAOYSA-N
Compound name
2-(3,5-dichlorophenoxy)-2,2-difluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.95056 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.95784 140.6
[M+Na]+ 278.93978 151.5
[M-H]- 254.94328 140.7
[M+NH4]+ 273.98438 158.6
[M+K]+ 294.91372 146.5
[M+H-H2O]+ 238.94782 136.0
[M+HCOO]- 300.94876 150.9
[M+CH3COO]- 314.96441 188.3
[M+Na-2H]- 276.92523 145.2
[M]+ 255.95001 142.6
[M]- 255.95111 142.6
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.