CID 11082501

12-azido-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorododecane

Structural Information

Molecular Formula
C12H4F21N3
SMILES
C(CN=[N+]=[N-])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
InChI
InChI=1S/C12H4F21N3/c13-3(14,1-2-35-36-34)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h1-2H2
InChIKey
DEFDVRCZPOZAET-UHFFFAOYSA-N
Compound name
12-azido-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

1
Patents

589.00696 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 590.01424 203.2
[M+Na]+ 611.99618 210.7
[M-H]- 587.99968 216.2
[M+NH4]+ 607.04078 214.9
[M+K]+ 627.97012 221.2
[M+H-H2O]+ 572.00422 184.2
[M+HCOO]- 634.00516 223.8
[M+CH3COO]- 648.02081 252.8
[M+Na-2H]- 609.98163 202.4
[M]+ 589.00641 195.5
[M]- 589.00751 195.5
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