CID 120575

N-benzylpentafluoropropionamide

Structural Information

Molecular Formula
C10H8F5NO
SMILES
C1=CC=C(C=C1)CNC(=O)C(C(F)(F)F)(F)F
InChI
InChI=1S/C10H8F5NO/c11-9(12,10(13,14)15)8(17)16-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,16,17)
InChIKey
BMJLZWVREALOGH-UHFFFAOYSA-N
Compound name
N-benzyl-2,2,3,3,3-pentafluoropropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.05261 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.05989 148.5
[M+Na]+ 276.04183 155.9
[M-H]- 252.04533 145.5
[M+NH4]+ 271.08643 164.9
[M+K]+ 292.01577 152.7
[M+H-H2O]+ 236.04987 138.5
[M+HCOO]- 298.05081 164.6
[M+CH3COO]- 312.06646 194.6
[M+Na-2H]- 274.02728 153.6
[M]+ 253.05206 140.7
[M]- 253.05316 140.7
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.