CID 60153

106609-76-1

Structural Information

Molecular Formula
C14H16ClNO2
SMILES
CC1(C(=C(C(=O)O1)Cl)C2=CC=CC=C2)CN(C)C
InChI
InChI=1S/C14H16ClNO2/c1-14(9-16(2)3)11(12(15)13(17)18-14)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKey
ODLWXXDTMOWJMA-UHFFFAOYSA-N
Compound name
3-chloro-5-[(dimethylamino)methyl]-5-methyl-4-phenylfuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.08694 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.09422 157.5
[M+Na]+ 288.07616 171.0
[M+NH4]+ 283.12076 167.7
[M+K]+ 304.05010 164.0
[M-H]- 264.07966 163.2
[M+Na-2H]- 286.06161 165.9
[M]+ 265.08639 161.5
[M]- 265.08749 161.5
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.