CID 78979

1,2-dibromo-1,1,2-trifluoroethane

Structural Information

Molecular Formula
C2HBr2F3
SMILES
C(C(F)(F)Br)(F)Br
InChI
InChI=1S/C2HBr2F3/c3-1(5)2(4,6)7/h1H
InChIKey
UREJNEBJDURREH-UHFFFAOYSA-N
Compound name
1,2-dibromo-1,1,2-trifluoroethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

239.8397 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.84698 134.0
[M+Na]+ 262.82892 145.8
[M-H]- 238.83242 135.6
[M+NH4]+ 257.87352 154.8
[M+K]+ 278.80286 130.6
[M+H-H2O]+ 222.83696 140.9
[M+HCOO]- 284.83790 146.6
[M+CH3COO]- 298.85355 195.0
[M+Na-2H]- 260.81437 140.7
[M]+ 239.83915 163.3
[M]- 239.84025 163.3
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