CID 2736358

355-36-2

Structural Information

Molecular Formula
C6HBrF12
SMILES
C(C(C(C(C(C(F)(F)Br)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6HBrF12/c7-6(18,19)5(16,17)4(14,15)3(12,13)2(10,11)1(8)9/h1H
InChIKey
POJDLLAQCVDMMK-UHFFFAOYSA-N
Compound name
1-bromo-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

3
Patents

379.907 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.91428 178.9
[M+Na]+ 402.89622 191.3
[M-H]- 378.89972 169.1
[M+NH4]+ 397.94082 193.3
[M+K]+ 418.87016 179.2
[M+H-H2O]+ 362.90426 171.4
[M+HCOO]- 424.90520 179.8
[M+CH3COO]- 438.92085 213.9
[M+Na-2H]- 400.88167 180.7
[M]+ 379.90645 177.5
[M]- 379.90755 177.5
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