CID 116612

1,8-dibromo-1,1,2,2-tetrafluorooctane

Structural Information

Molecular Formula
C8H12Br2F4
SMILES
C(CCCBr)CCC(C(F)(F)Br)(F)F
InChI
InChI=1S/C8H12Br2F4/c9-6-4-2-1-3-5-7(11,12)8(10,13)14/h1-6H2
InChIKey
HQQKCBTWMGGVPR-UHFFFAOYSA-N
Compound name
1,8-dibromo-1,1,2,2-tetrafluorooctane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

341.9242 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.93148 165.4
[M+Na]+ 364.91342 175.8
[M-H]- 340.91692 165.2
[M+NH4]+ 359.95802 183.0
[M+K]+ 380.88736 158.7
[M+H-H2O]+ 324.92146 170.8
[M+HCOO]- 386.92240 174.9
[M+CH3COO]- 400.93805 210.5
[M+Na-2H]- 362.89887 169.7
[M]+ 341.92365 195.1
[M]- 341.92475 195.1
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