CID 69579

1,2-dibromohexafluoropropane

Structural Information

Molecular Formula
C3Br2F6
SMILES
C(C(F)(F)F)(C(F)(F)Br)(F)Br
InChI
InChI=1S/C3Br2F6/c4-1(6,2(5,7)8)3(9,10)11
InChIKey
KTULQNFKNLFOHL-UHFFFAOYSA-N
Compound name
1,2-dibromo-1,1,2,3,3,3-hexafluoropropane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

305
Patents

307.8271 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.83438 155.9
[M+Na]+ 330.81632 168.2
[M-H]- 306.81982 154.7
[M+NH4]+ 325.86092 174.3
[M+K]+ 346.79026 151.9
[M+H-H2O]+ 290.82436 160.8
[M+HCOO]- 352.82530 163.8
[M+CH3COO]- 366.84095 203.6
[M+Na-2H]- 328.80177 161.4
[M]+ 307.82655 181.0
[M]- 307.82765 181.0
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