CID 11181288

N-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-2-iodoacetamide

Structural Information

Molecular Formula
C13H9F17INO
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)CNC(=O)CI
InChI
InChI=1S/C13H9F17INO/c14-6(15,2-1-3-32-5(33)4-31)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h1-4H2,(H,32,33)
InChIKey
MFTQISGNRWTJNY-UHFFFAOYSA-N
Compound name
N-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-2-iodoacetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

7
Patents

644.94574 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 645.95302 211.5
[M+Na]+ 667.93496 218.2
[M-H]- 643.93846 219.0
[M+NH4]+ 662.97956 220.6
[M+K]+ 683.90890 226.0
[M+H-H2O]+ 627.94300 200.7
[M+HCOO]- 689.94394 226.7
[M+CH3COO]- 703.95959 249.6
[M+Na-2H]- 665.92041 207.8
[M]+ 644.94519 205.9
[M]- 644.94629 205.9
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