CID 9860086

4-(3-bromo-2-oxopyrrolidin-1-yl)benzonitrile

Structural Information

Molecular Formula
C11H9BrN2O
SMILES
C1CN(C(=O)C1Br)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C11H9BrN2O/c12-10-5-6-14(11(10)15)9-3-1-8(7-13)2-4-9/h1-4,10H,5-6H2
InChIKey
WPIZASJVDDJWKA-UHFFFAOYSA-N
Compound name
4-(3-bromo-2-oxopyrrolidin-1-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

263.98984 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.997116 148.3
[M+Na]+ 286.979058 162.3
[M-H]- 262.982564 154.0
[M+NH4]+ 282.023663 167.0
[M+K]+ 302.952998 149.5
[M+H-H2O]+ 246.987100 140.7
[M+HCOO]- 308.988041 167.1
[M+CH3COO]- 323.003691 202.7
[M+Na-2H]- 284.964506 152.2
[M]+ 263.98929142 158.7
[M]- 263.99038858 158.7
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