CID 73553482

3,6-dibromo-2-fluorobenzoic acid

Structural Information

Molecular Formula
C7H3Br2FO2
SMILES
C1=CC(=C(C(=C1Br)C(=O)O)F)Br
InChI
InChI=1S/C7H3Br2FO2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H,11,12)
InChIKey
XUWXFNAXMCSSJT-UHFFFAOYSA-N
Compound name
3,6-dibromo-2-fluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.8484 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.85568 138.3
[M+Na]+ 318.83762 150.1
[M-H]- 294.84112 143.5
[M+NH4]+ 313.88222 157.1
[M+K]+ 334.81156 134.4
[M+H-H2O]+ 278.84566 145.8
[M+HCOO]- 340.84660 152.9
[M+CH3COO]- 354.86225 201.1
[M+Na-2H]- 316.82307 143.9
[M]+ 295.84785 171.0
[M]- 295.84895 171.0
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.