CID 20554904

7-bromo-1,1,1,2,2,3,3-heptafluoroheptane

Structural Information

Molecular Formula
C7H8BrF7
SMILES
C(CCBr)CC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H8BrF7/c8-4-2-1-3-5(9,10)6(11,12)7(13,14)15/h1-4H2
InChIKey
HGKPBLDBHFVETL-UHFFFAOYSA-N
Compound name
7-bromo-1,1,1,2,2,3,3-heptafluoroheptane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

303.96976 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.97704 163.6
[M+Na]+ 326.95898 175.3
[M-H]- 302.96248 158.3
[M+NH4]+ 322.00358 182.0
[M+K]+ 342.93292 163.2
[M+H-H2O]+ 286.96702 159.3
[M+HCOO]- 348.96796 172.9
[M+CH3COO]- 362.98361 200.4
[M+Na-2H]- 324.94443 167.8
[M]+ 303.96921 172.4
[M]- 303.97031 172.4
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