CID 4073367

N-[4-(heptafluoropropyl)phenyl]acetamide

Structural Information

Molecular Formula
C11H8F7NO
SMILES
CC(=O)NC1=CC=C(C=C1)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H8F7NO/c1-6(20)19-8-4-2-7(3-5-8)9(12,13)10(14,15)11(16,17)18/h2-5H,1H3,(H,19,20)
InChIKey
DGTLBPOBSFXXAK-UHFFFAOYSA-N
Compound name
N-[4-(1,1,2,2,3,3,3-heptafluoropropyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

303.0494 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.05668 158.1
[M+Na]+ 326.03862 166.5
[M-H]- 302.04212 153.1
[M+NH4]+ 321.08322 172.6
[M+K]+ 342.01256 162.8
[M+H-H2O]+ 286.04666 146.9
[M+HCOO]- 348.04760 170.0
[M+CH3COO]- 362.06325 205.1
[M+Na-2H]- 324.02407 161.8
[M]+ 303.04885 147.7
[M]- 303.04995 147.7
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

patents stripe