CID 131851307

Dtxsid40895351

Structural Information

Molecular Formula
C12H3Br2F21
SMILES
C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Br)Br
InChI
InChI=1S/C12H3Br2F21/c13-1-2(14)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)35/h2H,1H2
InChIKey
VQQUFCBIFOJLEP-UHFFFAOYSA-N
Compound name
11,12-dibromo-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorododecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

703.8266 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 704.83388 247.9
[M+Na]+ 726.81582 252.0
[M-H]- 702.81932 254.1
[M+NH4]+ 721.86042 256.4
[M+K]+ 742.78976 261.0
[M+H-H2O]+ 686.82386 238.6
[M+HCOO]- 748.82480 260.5
[M+CH3COO]- 762.84045 254.4
[M+Na-2H]- 724.80127 246.1
[M]+ 703.82605 245.1
[M]- 703.82715 245.1
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

No patent data available for this compound.