CID 3060082

77694-32-7

Structural Information

Molecular Formula
C14H14F3NO3
SMILES
CC1(CC(C(=O)O1)NC(=O)C2=CC=C(C=C2)C(F)(F)F)C
InChI
InChI=1S/C14H14F3NO3/c1-13(2)7-10(12(20)21-13)18-11(19)8-3-5-9(6-4-8)14(15,16)17/h3-6,10H,7H2,1-2H3,(H,18,19)
InChIKey
SULKUAAIRXGOQJ-UHFFFAOYSA-N
Compound name
N-(5,5-dimethyl-2-oxooxolan-3-yl)-4-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.0926 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.09988 162.7
[M+Na]+ 324.08182 171.0
[M-H]- 300.08532 166.7
[M+NH4]+ 319.12642 180.2
[M+K]+ 340.05576 169.0
[M+H-H2O]+ 284.08986 155.1
[M+HCOO]- 346.09080 180.4
[M+CH3COO]- 360.10645 203.2
[M+Na-2H]- 322.06727 165.2
[M]+ 301.09205 159.4
[M]- 301.09315 159.4
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.