CID 75406214

7601-98-1

Structural Information

Molecular Formula
C4Br2F4O3
SMILES
C(=O)(C(F)(F)Br)OC(=O)C(F)(F)Br
InChI
InChI=1S/C4Br2F4O3/c5-3(7,8)1(11)13-2(12)4(6,9)10
InChIKey
QCBDDIHRXCJILE-UHFFFAOYSA-N
Compound name
(2-bromo-2,2-difluoroacetyl) 2-bromo-2,2-difluoroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

329.81503 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.82231 152.1
[M+Na]+ 352.80425 163.4
[M-H]- 328.80775 152.5
[M+NH4]+ 347.84885 169.7
[M+K]+ 368.77819 148.0
[M+H-H2O]+ 312.81229 157.7
[M+HCOO]- 374.81323 162.0
[M+CH3COO]- 388.82888 204.5
[M+Na-2H]- 350.78970 156.7
[M]+ 329.81448 181.7
[M]- 329.81558 181.7
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

patents stripe