CID 10340256

62571-55-5

Structural Information

Molecular Formula
C8H4F13N3
SMILES
C(CN=[N+]=[N-])C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H4F13N3/c9-3(10,1-2-23-24-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H2
InChIKey
KAGVVOGIAJXMDE-UHFFFAOYSA-N
Compound name
8-azido-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

21
Patents

389.01978 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.02706 181.4
[M+Na]+ 412.00900 192.3
[M-H]- 388.01250 189.4
[M+NH4]+ 407.05360 189.4
[M+K]+ 427.98294 194.6
[M+H-H2O]+ 372.01704 165.5
[M+HCOO]- 434.01798 204.3
[M+CH3COO]- 448.03363 222.2
[M+Na-2H]- 409.99445 179.3
[M]+ 389.01923 174.5
[M]- 389.02033 174.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe