CID 145912901

4-(3,4-difluorophenyl)-3,3-dimethylazetidin-2-one

Structural Information

Molecular Formula
C11H11F2NO
SMILES
CC1(C(NC1=O)C2=CC(=C(C=C2)F)F)C
InChI
InChI=1S/C11H11F2NO/c1-11(2)9(14-10(11)15)6-3-4-7(12)8(13)5-6/h3-5,9H,1-2H3,(H,14,15)
InChIKey
GBMQQSAIZRBZRU-UHFFFAOYSA-N
Compound name
4-(3,4-difluorophenyl)-3,3-dimethylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.08087 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08815 143.2
[M+Na]+ 234.07009 152.8
[M-H]- 210.07359 145.7
[M+NH4]+ 229.11469 156.3
[M+K]+ 250.04403 151.6
[M+H-H2O]+ 194.07813 131.2
[M+HCOO]- 256.07907 160.9
[M+CH3COO]- 270.09472 189.5
[M+Na-2H]- 232.05554 146.5
[M]+ 211.08032 148.6
[M]- 211.08142 148.6
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.