CID 11387213

N-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)iodoacetamide

Structural Information

Molecular Formula
C11H9F13INO
SMILES
C(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CNC(=O)CI
InChI
InChI=1S/C11H9F13INO/c12-6(13,2-1-3-26-5(27)4-25)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h1-4H2,(H,26,27)
InChIKey
SAQMTNGZQLPXJU-UHFFFAOYSA-N
Compound name
2-iodo-N-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)acetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

5
Patents

544.95215 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 545.95943 192.9
[M+Na]+ 567.94137 209.8
[M-H]- 543.94487 206.4
[M+NH4]+ 562.98597 208.7
[M+K]+ 583.91531 195.5
[M+H-H2O]+ 527.94941 176.2
[M+HCOO]- 589.95035 217.4
[M+CH3COO]- 603.96600 234.9
[M+Na-2H]- 565.92682 183.4
[M]+ 544.95160 196.3
[M]- 544.95270 196.3
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