CID 11441040

852527-60-7

Structural Information

Molecular Formula
C9H6F13N3
SMILES
C(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CN=[N+]=[N-]
InChI
InChI=1S/C9H6F13N3/c10-4(11,2-1-3-24-25-23)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h1-3H2
InChIKey
DQEDVGBNEFVPEU-UHFFFAOYSA-N
Compound name
9-azido-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorononane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2
Patents

403.0354 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.04268 185.3
[M+Na]+ 426.02462 196.0
[M-H]- 402.02812 193.0
[M+NH4]+ 421.06922 193.3
[M+K]+ 441.99856 198.6
[M+H-H2O]+ 386.03266 169.3
[M+HCOO]- 448.03360 207.9
[M+CH3COO]- 462.04925 225.0
[M+Na-2H]- 424.01007 182.7
[M]+ 403.03485 178.2
[M]- 403.03595 178.2
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