CID 51000180

2,5-dibromo-3,6-difluorobenzoic acid

Structural Information

Molecular Formula
C7H2Br2F2O2
SMILES
C1=C(C(=C(C(=C1Br)F)C(=O)O)Br)F
InChI
InChI=1S/C7H2Br2F2O2/c8-2-1-3(10)5(9)4(6(2)11)7(12)13/h1H,(H,12,13)
InChIKey
ADTKZZCYCASGJX-UHFFFAOYSA-N
Compound name
2,5-dibromo-3,6-difluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.83896 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.84624 141.9
[M+Na]+ 336.82818 154.4
[M-H]- 312.83168 146.3
[M+NH4]+ 331.87278 160.3
[M+K]+ 352.80212 138.3
[M+H-H2O]+ 296.83622 148.7
[M+HCOO]- 358.83716 155.6
[M+CH3COO]- 372.85281 204.1
[M+Na-2H]- 334.81363 146.3
[M]+ 313.83841 173.9
[M]- 313.83951 173.9
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.