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 152.8
[M+Na]+ 274.08498 161.0
[M-H]- 250.08848 159.5
[M+NH4]+ 269.12958 172.3
[M+K]+ 290.05892 159.5
[M+H-H2O]+ 234.09302 146.5
[M+HCOO]- 296.09396 174.6
[M+CH3COO]- 310.10961 195.0
[M+Na-2H]- 272.07043 155.9
[M]+ 251.09521 152.1
[M]- 251.09631 152.1
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.