CID 43651817

2-(4-bromophenoxy)-2,2-difluoroacetic acid

Structural Information

Molecular Formula
C8H5BrF2O3
SMILES
C1=CC(=CC=C1OC(C(=O)O)(F)F)Br
InChI
InChI=1S/C8H5BrF2O3/c9-5-1-3-6(4-2-5)14-8(10,11)7(12)13/h1-4H,(H,12,13)
InChIKey
YGWFXCNFJPSDPX-UHFFFAOYSA-N
Compound name
2-(4-bromophenoxy)-2,2-difluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
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

literature stripe

Patent stripe

patents stripe