CID 22630491

10-bromo-1,1,1,2,2,3,3,4,4-nonafluorodecane

Structural Information

Molecular Formula
C10H12BrF9
SMILES
C(CCCBr)CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H12BrF9/c11-6-4-2-1-3-5-7(12,13)8(14,15)9(16,17)10(18,19)20/h1-6H2
InChIKey
JNJQXCNNGSJWOS-UHFFFAOYSA-N
Compound name
10-bromo-1,1,1,2,2,3,3,4,4-nonafluorodecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

381.99786 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.00514 186.0
[M+Na]+ 404.98708 196.9
[M-H]- 380.99058 178.2
[M+NH4]+ 400.03168 201.1
[M+K]+ 420.96102 183.8
[M+H-H2O]+ 364.99512 179.8
[M+HCOO]- 426.99606 190.8
[M+CH3COO]- 441.01171 214.5
[M+Na-2H]- 402.97253 187.9
[M]+ 381.99731 191.9
[M]- 381.99841 191.9
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