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

9
Patents

265.939 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.94628 146.8
[M+Na]+ 288.92822 158.3
[M-H]- 264.93172 149.5
[M+NH4]+ 283.97282 166.1
[M+K]+ 304.90216 147.5
[M+H-H2O]+ 248.93626 145.6
[M+HCOO]- 310.93720 163.9
[M+CH3COO]- 324.95285 188.8
[M+Na-2H]- 286.91367 153.2
[M]+ 265.93845 163.4
[M]- 265.93955 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