CID 1485875

1-(4-fluorophenyl)-2-pyrrolidinone

Structural Information

Molecular Formula
C10H10FNO
SMILES
C1CC(=O)N(C1)C2=CC=C(C=C2)F
InChI
InChI=1S/C10H10FNO/c11-8-3-5-9(6-4-8)12-7-1-2-10(12)13/h3-6H,1-2,7H2
InChIKey
SZZJBOHBVUOQFP-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

179.07465 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.081926 135.0
[M+Na]+ 202.063868 143.5
[M-H]- 178.067374 139.3
[M+NH4]+ 197.108473 155.5
[M+K]+ 218.037808 140.6
[M+H-H2O]+ 162.071910 127.4
[M+HCOO]- 224.072851 156.8
[M+CH3COO]- 238.088501 179.3
[M+Na-2H]- 200.049316 138.7
[M]+ 179.07410142 131.6
[M]- 179.07519858 131.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe