CID 170632905

6-bromo-3,4-dichloro-2-fluorobenzoic acid

Structural Information

Molecular Formula
C7H2BrCl2FO2
SMILES
C1=C(C(=C(C(=C1Br)C(=O)O)F)Cl)Cl
InChI
InChI=1S/C7H2BrCl2FO2/c8-2-1-3(9)5(10)6(11)4(2)7(12)13/h1H,(H,12,13)
InChIKey
RTFCGWONTXZFKC-UHFFFAOYSA-N
Compound name
6-bromo-3,4-dichloro-2-fluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.85992 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.86720 139.9
[M+Na]+ 308.84914 155.7
[M-H]- 284.85264 144.4
[M+NH4]+ 303.89374 160.8
[M+K]+ 324.82308 141.4
[M+H-H2O]+ 268.85718 142.0
[M+HCOO]- 330.85812 150.7
[M+CH3COO]- 344.87377 192.4
[M+Na-2H]- 306.83459 144.6
[M]+ 285.85937 160.3
[M]- 285.86047 160.3
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.