CID 9873

Perflubron

Structural Information

Molecular Formula
C8BrF17
SMILES
C(C(C(C(C(F)(F)Br)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8BrF17/c9-7(22,23)5(18,19)3(14,15)1(10,11)2(12,13)4(16,17)6(20,21)8(24,25)26
InChIKey
WTWWXOGTJWMJHI-UHFFFAOYSA-N
Compound name
1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

591
References

20475
Patents

497.8912 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.89848 211.5
[M+Na]+ 520.88042 223.9
[M-H]- 496.88392 188.2
[M+NH4]+ 515.92502 191.2
[M+K]+ 536.85436 211.7
[M+H-H2O]+ 480.88846 201.0
[M+HCOO]- 542.88940 203.1
[M+CH3COO]- 556.90505 232.3
[M+Na-2H]- 518.86587 212.6
[M]+ 497.89065 200.8
[M]- 497.89175 200.8
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