CID 81445585

Ethyl 4-bromo-5-chloro-2-fluorobenzoate

Structural Information

Molecular Formula
C9H7BrClFO2
SMILES
CCOC(=O)C1=CC(=C(C=C1F)Br)Cl
InChI
InChI=1S/C9H7BrClFO2/c1-2-14-9(13)5-3-7(11)6(10)4-8(5)12/h3-4H,2H2,1H3
InChIKey
UUPTUDXKEGHBEZ-UHFFFAOYSA-N
Compound name
ethyl 4-bromo-5-chloro-2-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.9302 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.93748 145.9
[M+Na]+ 302.91942 160.1
[M-H]- 278.92292 151.7
[M+NH4]+ 297.96402 167.2
[M+K]+ 318.89336 147.6
[M+H-H2O]+ 262.92746 146.4
[M+HCOO]- 324.92840 162.3
[M+CH3COO]- 338.94405 194.3
[M+Na-2H]- 300.90487 151.0
[M]+ 279.92965 167.6
[M]- 279.93075 167.6
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.