CID 522992

1,6-dibromododecafluorohexane

Structural Information

Molecular Formula
C6Br2F12
SMILES
C(C(C(C(F)(F)Br)(F)F)(F)F)(C(C(F)(F)Br)(F)F)(F)F
InChI
InChI=1S/C6Br2F12/c7-5(17,18)3(13,14)1(9,10)2(11,12)4(15,16)6(8,19)20
InChIKey
SWAPKQWKFYIOJS-UHFFFAOYSA-N
Compound name
1,6-dibromo-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

85
Patents

457.8175 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.82478 201.2
[M+Na]+ 480.80672 212.8
[M-H]- 456.81022 194.7
[M+NH4]+ 475.85132 213.6
[M+K]+ 496.78066 195.7
[M+H-H2O]+ 440.81476 201.5
[M+HCOO]- 502.81570 199.7
[M+CH3COO]- 516.83135 225.4
[M+Na-2H]- 478.79217 202.5
[M]+ 457.81695 216.1
[M]- 457.81805 216.1
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