CID 67902

421-70-5

Structural Information

Molecular Formula
C2BrF4I
SMILES
C(C(F)(F)I)(F)(F)Br
InChI
InChI=1S/C2BrF4I/c3-1(4,5)2(6,7)8
InChIKey
ZYNPYKGTNSXKPI-UHFFFAOYSA-N
Compound name
1-bromo-1,1,2,2-tetrafluoro-2-iodoethane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1257
Patents

305.8164 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.82368 139.5
[M+Na]+ 328.80562 145.7
[M-H]- 304.80912 132.3
[M+NH4]+ 323.85022 157.4
[M+K]+ 344.77956 141.1
[M+H-H2O]+ 288.81366 134.9
[M+HCOO]- 350.81460 150.4
[M+CH3COO]- 364.83025 189.1
[M+Na-2H]- 326.79107 136.0
[M]+ 305.81585 148.7
[M]- 305.81695 148.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe