CID 53719

77694-31-6

Structural Information

Molecular Formula
C13H14FNO3
SMILES
CC1(CC(C(=O)O1)NC(=O)C2=CC=C(C=C2)F)C
InChI
InChI=1S/C13H14FNO3/c1-13(2)7-10(12(17)18-13)15-11(16)8-3-5-9(14)6-4-8/h3-6,10H,7H2,1-2H3,(H,15,16)
InChIKey
QRDJEPRUENASKA-UHFFFAOYSA-N
Compound name
N-(5,5-dimethyl-2-oxooxolan-3-yl)-4-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.09576 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10304 156.6
[M+Na]+ 274.08498 166.5
[M+NH4]+ 269.12958 164.6
[M+K]+ 290.05892 161.5
[M-H]- 250.08848 159.2
[M+Na-2H]- 272.07043 162.2
[M]+ 251.09521 158.6
[M]- 251.09631 158.6
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.