CID 3668137

2,2,3,3,4,4,5,5,5-nonafluoro-n-phenylpentanamide

Structural Information

Molecular Formula
C11H6F9NO
SMILES
C1=CC=C(C=C1)NC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H6F9NO/c12-8(13,7(22)21-6-4-2-1-3-5-6)9(14,15)10(16,17)11(18,19)20/h1-5H,(H,21,22)
InChIKey
TUKGKGYCBQOMNC-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,5-nonafluoro-N-phenylpentanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

339.03058 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.03786 163.7
[M+Na]+ 362.01980 171.7
[M-H]- 338.02330 156.1
[M+NH4]+ 357.06440 176.1
[M+K]+ 377.99374 167.7
[M+H-H2O]+ 322.02784 151.0
[M+HCOO]- 384.02878 171.8
[M+CH3COO]- 398.04443 210.3
[M+Na-2H]- 360.00525 167.8
[M]+ 339.03003 149.5
[M]- 339.03113 149.5
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