CID 71669259

222037-87-8

Structural Information

Molecular Formula
C8BrF15O
SMILES
C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Br
InChI
InChI=1S/C8BrF15O/c9-1(25)2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24
InChIKey
WQELDDKOSOQCBX-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoyl bromide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

32
Patents

475.8893 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.89658 201.4
[M+Na]+ 498.87852 213.7
[M-H]- 474.88202 189.5
[M+NH4]+ 493.92312 190.0
[M+K]+ 514.85246 201.6
[M+H-H2O]+ 458.88656 192.1
[M+HCOO]- 520.88750 199.6
[M+CH3COO]- 534.90315 228.0
[M+Na-2H]- 496.86397 202.7
[M]+ 475.88875 194.7
[M]- 475.88985 194.7
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