CID 71329747

4-(nonadecafluorononyl)benzoyl azide

Structural Information

Molecular Formula
C16H4F19N3O
SMILES
C1=CC(=CC=C1C(=O)N=[N+]=[N-])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
InChI
InChI=1S/C16H4F19N3O/c17-8(18,6-3-1-5(2-4-6)7(39)37-38-36)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)16(33,34)35/h1-4H
InChIKey
UPIFAZUWDVJBEO-UHFFFAOYSA-N
Compound name
4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)benzoyl azide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

615.0051 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 616.01238 202.2
[M+Na]+ 637.99432 212.4
[M-H]- 613.99782 216.7
[M+NH4]+ 633.03892 215.7
[M+K]+ 653.96826 219.7
[M+H-H2O]+ 598.00236 185.2
[M+HCOO]- 660.00330 225.1
[M+CH3COO]- 674.01895 255.4
[M+Na-2H]- 635.97977 201.4
[M]+ 615.00455 194.4
[M]- 615.00565 194.4
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.