CID 18687774

6-bromo-2,4-difluoro-3-methoxybenzoic acid

Structural Information

Molecular Formula
C8H5BrF2O3
SMILES
COC1=C(C(=C(C=C1F)Br)C(=O)O)F
InChI
InChI=1S/C8H5BrF2O3/c1-14-7-4(10)2-3(9)5(6(7)11)8(12)13/h2H,1H3,(H,12,13)
InChIKey
STZYOUVPRSQAGI-UHFFFAOYSA-N
Compound name
6-bromo-2,4-difluoro-3-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

265.939 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.946276 143.6
[M+Na]+ 288.928218 157.3
[M-H]- 264.931724 147.1
[M+NH4]+ 283.972823 163.7
[M+K]+ 304.902158 146.2
[M+H-H2O]+ 248.936260 142.4
[M+HCOO]- 310.937201 162.1
[M+CH3COO]- 324.952851 191.9
[M+Na-2H]- 286.913666 147.5
[M]+ 265.93845142 161.8
[M]- 265.93954858 161.8
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