CID 2735895

2-amino-3,5-dibromo-6-fluorobenzoic acid

Structural Information

Molecular Formula
C7H4Br2FNO2
SMILES
C1=C(C(=C(C(=C1Br)F)C(=O)O)N)Br
InChI
InChI=1S/C7H4Br2FNO2/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1H,11H2,(H,12,13)
InChIKey
DHWCACOUGDPIBD-UHFFFAOYSA-N
Compound name
2-amino-3,5-dibromo-6-fluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

310.85928 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.86656 143.2
[M+Na]+ 333.84850 154.5
[M-H]- 309.85200 147.8
[M+NH4]+ 328.89310 160.9
[M+K]+ 349.82244 137.9
[M+H-H2O]+ 293.85654 149.3
[M+HCOO]- 355.85748 157.6
[M+CH3COO]- 369.87313 205.3
[M+Na-2H]- 331.83395 147.1
[M]+ 310.85873 174.4
[M]- 310.85983 174.4
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