CID 4422182

5-(bromodichloromethyl)-3,4,5-trichloro-2(5h)-furanone

Structural Information

Molecular Formula
C5BrCl5O2
SMILES
C1(=C(C(OC1=O)(C(Cl)(Cl)Br)Cl)Cl)Cl
InChI
InChI=1S/C5BrCl5O2/c6-5(10,11)4(9)2(8)1(7)3(12)13-4
InChIKey
CPQSNKPSBAQYBF-UHFFFAOYSA-N
Compound name
5-[bromo(dichloro)methyl]-3,4,5-trichlorofuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.75244 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.75972 154.1
[M+Na]+ 368.74166 168.6
[M-H]- 344.74516 156.8
[M+NH4]+ 363.78626 173.3
[M+K]+ 384.71560 156.2
[M+H-H2O]+ 328.74970 158.3
[M+HCOO]- 390.75064 149.7
[M+CH3COO]- 404.76629 202.2
[M+Na-2H]- 366.72711 157.8
[M]+ 345.75189 170.4
[M]- 345.75299 170.4
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.