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

4
Patents

263.98984 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.99712 148.3
[M+Na]+ 286.97906 162.3
[M-H]- 262.98256 154.0
[M+NH4]+ 282.02366 167.0
[M+K]+ 302.95300 149.5
[M+H-H2O]+ 246.98710 140.7
[M+HCOO]- 308.98804 167.1
[M+CH3COO]- 323.00369 202.7
[M+Na-2H]- 284.96451 152.2
[M]+ 263.98929 158.7
[M]- 263.99039 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