CID 3024933

Sr 42004

Structural Information

Molecular Formula
C12H13ClFNO
SMILES
CC1CC(NC1=O)CC2=C(C=CC=C2Cl)F
InChI
InChI=1S/C12H13ClFNO/c1-7-5-8(15-12(7)16)6-9-10(13)3-2-4-11(9)14/h2-4,7-8H,5-6H2,1H3,(H,15,16)
InChIKey
RLCUWHNKCGKHPK-UHFFFAOYSA-N
Compound name
5-[(2-chloro-6-fluorophenyl)methyl]-3-methylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.06697 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.07425 152.2
[M+Na]+ 264.05619 164.6
[M+NH4]+ 259.10079 160.1
[M+K]+ 280.03013 159.0
[M-H]- 240.05969 153.5
[M+Na-2H]- 262.04164 157.3
[M]+ 241.06642 154.4
[M]- 241.06752 154.4
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.