CID 75356040

1505703-48-9

Structural Information

Molecular Formula
C7H3BrClFO2
SMILES
C1=CC(=C(C=C1Br)F)OC(=O)Cl
InChI
InChI=1S/C7H3BrClFO2/c8-4-1-2-6(5(10)3-4)12-7(9)11/h1-3H
InChIKey
AWBIFSSEGLZDRJ-UHFFFAOYSA-N
Compound name
(4-bromo-2-fluorophenyl) carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.8989 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.906176 137.3
[M+Na]+ 274.888118 151.5
[M-H]- 250.891624 143.0
[M+NH4]+ 269.932723 159.3
[M+K]+ 290.862058 139.4
[M+H-H2O]+ 234.896160 138.0
[M+HCOO]- 296.897101 154.3
[M+CH3COO]- 310.912751 187.6
[M+Na-2H]- 272.873566 144.1
[M]+ 251.89835142 158.0
[M]- 251.89944858 158.0
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.