CID 15545303

8-bromo-1,1,1,2,2,3,3,4,4-nonafluorooctane

Structural Information

Molecular Formula
C8H8BrF9
SMILES
C(CCBr)CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H8BrF9/c9-4-2-1-3-5(10,11)6(12,13)7(14,15)8(16,17)18/h1-4H2
InChIKey
PEPWIAVLPDLJMQ-UHFFFAOYSA-N
Compound name
8-bromo-1,1,1,2,2,3,3,4,4-nonafluorooctane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

353.96658 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.97386 176.7
[M+Na]+ 376.95580 188.3
[M-H]- 352.95930 169.3
[M+NH4]+ 372.00040 192.8
[M+K]+ 392.92974 175.8
[M+H-H2O]+ 336.96384 170.8
[M+HCOO]- 398.96478 182.1
[M+CH3COO]- 412.98043 209.2
[M+Na-2H]- 374.94125 179.7
[M]+ 353.96603 182.0
[M]- 353.96713 182.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe