CID 119031054

Ethyl 2,3-dibromo-4-fluoro-6-methylbenzoate

Structural Information

Molecular Formula
C10H9Br2FO2
SMILES
CCOC(=O)C1=C(C(=C(C=C1C)F)Br)Br
InChI
InChI=1S/C10H9Br2FO2/c1-3-15-10(14)7-5(2)4-6(13)8(11)9(7)12/h4H,3H2,1-2H3
InChIKey
WLNCTJKDEHMFRH-UHFFFAOYSA-N
Compound name
ethyl 2,3-dibromo-4-fluoro-6-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.89532 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.90260 148.6
[M+Na]+ 360.88454 160.6
[M-H]- 336.88804 154.8
[M+NH4]+ 355.92914 167.0
[M+K]+ 376.85848 145.1
[M+H-H2O]+ 320.89258 155.7
[M+HCOO]- 382.89352 163.6
[M+CH3COO]- 396.90917 210.3
[M+Na-2H]- 358.86999 152.8
[M]+ 337.89477 183.7
[M]- 337.89587 183.7
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.