CID 43651872

2-(2-bromophenoxy)-2,2-difluoroacetic acid

Structural Information

Molecular Formula
C8H5BrF2O3
SMILES
C1=CC=C(C(=C1)OC(C(=O)O)(F)F)Br
InChI
InChI=1S/C8H5BrF2O3/c9-5-3-1-2-4-6(5)14-8(10,11)7(12)13/h1-4H,(H,12,13)
InChIKey
REGKQSVOMJQPLS-UHFFFAOYSA-N
Compound name
2-(2-bromophenoxy)-2,2-difluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

265.939 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.946276 146.8
[M+Na]+ 288.928218 158.3
[M-H]- 264.931724 149.5
[M+NH4]+ 283.972823 166.1
[M+K]+ 304.902158 147.5
[M+H-H2O]+ 248.936260 145.6
[M+HCOO]- 310.937201 163.9
[M+CH3COO]- 324.952851 188.8
[M+Na-2H]- 286.913666 153.2
[M]+ 265.93845142 163.4
[M]- 265.93954858 163.4
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

patents stripe