CID 63787702

3-bromo-1-(4-bromophenyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C10H9Br2NO
SMILES
C1CN(C(=O)C1Br)C2=CC=C(C=C2)Br
InChI
InChI=1S/C10H9Br2NO/c11-7-1-3-8(4-2-7)13-6-5-9(12)10(13)14/h1-4,9H,5-6H2
InChIKey
QUUGICKQIQTLKC-UHFFFAOYSA-N
Compound name
3-bromo-1-(4-bromophenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

316.9051 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.91238 148.4
[M+Na]+ 339.89432 159.6
[M-H]- 315.89782 156.8
[M+NH4]+ 334.93892 167.6
[M+K]+ 355.86826 144.7
[M+H-H2O]+ 299.90236 156.6
[M+HCOO]- 361.90330 163.8
[M+CH3COO]- 375.91895 204.8
[M+Na-2H]- 337.87977 153.1
[M]+ 316.90455 181.0
[M]- 316.90565 181.0
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