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]+ 252.90618 137.3
[M+Na]+ 274.88812 151.5
[M-H]- 250.89162 143.0
[M+NH4]+ 269.93272 159.3
[M+K]+ 290.86206 139.4
[M+H-H2O]+ 234.89616 138.0
[M+HCOO]- 296.89710 154.3
[M+CH3COO]- 310.91275 187.6
[M+Na-2H]- 272.87357 144.1
[M]+ 251.89835 158.0
[M]- 251.89945 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.