CID 2912208

1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C11H10BrNO3
SMILES
C1C(CN(C1=O)C2=CC=C(C=C2)Br)C(=O)O
InChI
InChI=1S/C11H10BrNO3/c12-8-1-3-9(4-2-8)13-6-7(11(15)16)5-10(13)14/h1-4,7H,5-6H2,(H,15,16)
InChIKey
MDFOXHGBFTXKQL-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

37
Patents

282.9844 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.99168 154.4
[M+Na]+ 305.97362 165.5
[M-H]- 281.97712 161.4
[M+NH4]+ 301.01822 173.7
[M+K]+ 321.94756 154.4
[M+H-H2O]+ 265.98166 154.0
[M+HCOO]- 327.98260 172.6
[M+CH3COO]- 341.99825 192.3
[M+Na-2H]- 303.95907 157.0
[M]+ 282.98385 171.2
[M]- 282.98495 171.2
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