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 151.4
[M+Na]+ 264.05619 161.2
[M-H]- 240.05969 154.4
[M+NH4]+ 259.10079 170.1
[M+K]+ 280.03013 154.9
[M+H-H2O]+ 224.06423 144.6
[M+HCOO]- 286.06517 166.2
[M+CH3COO]- 300.08082 188.9
[M+Na-2H]- 262.04164 151.6
[M]+ 241.06642 149.5
[M]- 241.06752 149.5
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.