CID 171014467

Methyl 5-(bromomethyl)-4-chloro-2-fluorobenzoate

Structural Information

Molecular Formula
C9H7BrClFO2
SMILES
COC(=O)C1=C(C=C(C(=C1)CBr)Cl)F
InChI
InChI=1S/C9H7BrClFO2/c1-14-9(13)6-2-5(4-10)7(11)3-8(6)12/h2-3H,4H2,1H3
InChIKey
FIILFVMZHRHYKG-UHFFFAOYSA-N
Compound name
methyl 5-(bromomethyl)-4-chloro-2-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.9302 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.93748 149.0
[M+Na]+ 302.91942 153.1
[M+NH4]+ 297.96402 153.3
[M+K]+ 318.89336 152.5
[M-H]- 278.92292 148.1
[M+Na-2H]- 300.90487 151.7
[M]+ 279.92965 148.4
[M]- 279.93075 148.4
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.