CID 11386544

852527-61-8

Structural Information

Molecular Formula
C11H6F17N3
SMILES
C(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CN=[N+]=[N-]
InChI
InChI=1S/C11H6F17N3/c12-4(13,2-1-3-30-31-29)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1-3H2
InChIKey
GYAWTXGPAGMMFQ-UHFFFAOYSA-N
Compound name
11-azido-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoroundecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

5
Patents

503.02902 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.03630 195.8
[M+Na]+ 526.01824 204.8
[M-H]- 502.02174 206.3
[M+NH4]+ 521.06284 205.8
[M+K]+ 541.99218 211.8
[M+H-H2O]+ 486.02628 177.7
[M+HCOO]- 548.02722 217.3
[M+CH3COO]- 562.04287 241.3
[M+Na-2H]- 524.00369 193.7
[M]+ 503.02847 188.0
[M]- 503.02957 188.0
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