CID 130505850

2-(2-bromo-6-chlorophenyl)-2,2-difluoroacetic acid

Structural Information

Molecular Formula
C8H4BrClF2O2
SMILES
C1=CC(=C(C(=C1)Br)C(C(=O)O)(F)F)Cl
InChI
InChI=1S/C8H4BrClF2O2/c9-4-2-1-3-5(10)6(4)8(11,12)7(13)14/h1-3H,(H,13,14)
InChIKey
CIICMRVXTJQSQB-UHFFFAOYSA-N
Compound name
2-(2-bromo-6-chlorophenyl)-2,2-difluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.90512 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.91240 147.0
[M+Na]+ 306.89434 160.6
[M-H]- 282.89784 150.1
[M+NH4]+ 301.93894 167.0
[M+K]+ 322.86828 147.2
[M+H-H2O]+ 266.90238 147.1
[M+HCOO]- 328.90332 159.7
[M+CH3COO]- 342.91897 191.5
[M+Na-2H]- 304.87979 152.6
[M]+ 283.90457 164.6
[M]- 283.90567 164.6
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.