CID 4533420

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-n-(2-hydroxyethyl)nonanamide

Structural Information

Molecular Formula
C11H6F17NO2
SMILES
C(CO)NC(=O)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
InChI
InChI=1S/C11H6F17NO2/c12-4(13,3(31)29-1-2-30)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h30H,1-2H2,(H,29,31)
InChIKey
JFDOEXGUBUFCIO-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(2-hydroxyethyl)nonanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

507.0127 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.01998 167.2
[M+Na]+ 530.00192 173.3
[M-H]- 506.00542 176.3
[M+NH4]+ 525.04652 175.3
[M+K]+ 545.97586 180.5
[M+H-H2O]+ 490.00996 155.8
[M+HCOO]- 552.01090 183.6
[M+CH3COO]- 566.02655 237.9
[M+Na-2H]- 527.98737 166.1
[M]+ 507.01215 163.0
[M]- 507.01325 163.0
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

No patent data available for this compound.