CID 92755

1-bromoperfluorohexane

Structural Information

Molecular Formula
C6BrF13
SMILES
C(C(C(C(F)(F)Br)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6BrF13/c7-5(16,17)3(12,13)1(8,9)2(10,11)4(14,15)6(18,19)20
InChIKey
JTYRBFORUCBNHJ-UHFFFAOYSA-N
Compound name
1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

644
Patents

397.89758 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.90486 184.6
[M+Na]+ 420.88680 197.5
[M-H]- 396.89030 174.2
[M+NH4]+ 415.93140 198.2
[M+K]+ 436.86074 185.3
[M+H-H2O]+ 380.89484 176.6
[M+HCOO]- 442.89578 184.0
[M+CH3COO]- 456.91143 216.1
[M+Na-2H]- 418.87225 187.5
[M]+ 397.89703 181.3
[M]- 397.89813 181.3
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