CID 52988041

6-bromo-2-cyclopropylisoindolin-1-one

Structural Information

Molecular Formula
C11H10BrNO
SMILES
C1CC1N2CC3=C(C2=O)C=C(C=C3)Br
InChI
InChI=1S/C11H10BrNO/c12-8-2-1-7-6-13(9-3-4-9)11(14)10(7)5-8/h1-2,5,9H,3-4,6H2
InChIKey
NEJCKAFHTYFEGR-UHFFFAOYSA-N
Compound name
6-bromo-2-cyclopropyl-3H-isoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

250.99458 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.001856 151.7
[M+Na]+ 273.983798 166.5
[M-H]- 249.987304 161.5
[M+NH4]+ 269.028403 169.8
[M+K]+ 289.957738 154.2
[M+H-H2O]+ 233.991840 151.5
[M+HCOO]- 295.992781 171.8
[M+CH3COO]- 310.008431 166.7
[M+Na-2H]- 271.969246 157.2
[M]+ 250.99403142 171.5
[M]- 250.99512858 171.5
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