CID 118010157

2-amino-4-bromo-5-chloro-3-fluorobenzoic acid

Structural Information

Molecular Formula
C7H4BrClFNO2
SMILES
C1=C(C(=C(C(=C1Cl)Br)F)N)C(=O)O
InChI
InChI=1S/C7H4BrClFNO2/c8-4-3(9)1-2(7(12)13)6(11)5(4)10/h1H,11H2,(H,12,13)
InChIKey
HDKYIPMDJJVHHA-UHFFFAOYSA-N
Compound name
2-amino-4-bromo-5-chloro-3-fluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

446
Patents

266.9098 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.91708 142.5
[M+Na]+ 289.89902 156.7
[M-H]- 265.90252 146.8
[M+NH4]+ 284.94362 162.9
[M+K]+ 305.87296 143.0
[M+H-H2O]+ 249.90706 142.7
[M+HCOO]- 311.90800 158.2
[M+CH3COO]- 325.92365 192.2
[M+Na-2H]- 287.88447 146.5
[M]+ 266.90925 160.3
[M]- 266.91035 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

patents stripe