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]+ 242.074246 151.4
[M+Na]+ 264.056188 161.2
[M-H]- 240.059694 154.4
[M+NH4]+ 259.100793 170.1
[M+K]+ 280.030128 154.9
[M+H-H2O]+ 224.064230 144.6
[M+HCOO]- 286.065171 166.2
[M+CH3COO]- 300.080821 188.9
[M+Na-2H]- 262.041636 151.6
[M]+ 241.06642142 149.5
[M]- 241.06751858 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.