CID 3091103

2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)-n-(1-phenylethyl)propanamide

Structural Information

Molecular Formula
C14H10F11NO2
SMILES
CC(C1=CC=CC=C1)NC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C14H10F11NO2/c1-7(8-5-3-2-4-6-8)26-9(27)10(15,12(18,19)20)28-14(24,25)11(16,17)13(21,22)23/h2-7H,1H3,(H,26,27)
InChIKey
JIOOYMLWOFURHL-UHFFFAOYSA-N
Compound name
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(1-phenylethyl)propanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

433.0536 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.06088 184.6
[M+Na]+ 456.04282 191.7
[M-H]- 432.04632 174.8
[M+NH4]+ 451.08742 193.1
[M+K]+ 472.01676 188.1
[M+H-H2O]+ 416.05086 170.4
[M+HCOO]- 478.05180 187.6
[M+CH3COO]- 492.06745 227.0
[M+Na-2H]- 454.02827 186.7
[M]+ 433.05305 168.7
[M]- 433.05415 168.7
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.