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

15
Patents

265.939 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.94628 143.6
[M+Na]+ 288.92822 157.3
[M-H]- 264.93172 147.1
[M+NH4]+ 283.97282 163.7
[M+K]+ 304.90216 146.2
[M+H-H2O]+ 248.93626 142.4
[M+HCOO]- 310.93720 162.1
[M+CH3COO]- 324.95285 191.9
[M+Na-2H]- 286.91367 147.5
[M]+ 265.93845 161.8
[M]- 265.93955 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