CID 3463334

1-(2-bromophenyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C10H10BrNO
SMILES
C1CC(=O)N(C1)C2=CC=CC=C2Br
InChI
InChI=1S/C10H10BrNO/c11-8-4-1-2-5-9(8)12-7-3-6-10(12)13/h1-2,4-5H,3,6-7H2
InChIKey
FXXUXPJETBQBKX-UHFFFAOYSA-N
Compound name
1-(2-bromophenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

238.99458 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.00186 145.3
[M+Na]+ 261.98380 156.9
[M-H]- 237.98730 153.4
[M+NH4]+ 257.02840 167.1
[M+K]+ 277.95774 146.0
[M+H-H2O]+ 221.99184 145.0
[M+HCOO]- 283.99278 165.8
[M+CH3COO]- 298.00843 186.9
[M+Na-2H]- 259.96925 150.5
[M]+ 238.99403 161.8
[M]- 238.99513 161.8
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

patents stripe