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

8
Patents

250.99458 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.00186 151.7
[M+Na]+ 273.98380 166.5
[M-H]- 249.98730 161.5
[M+NH4]+ 269.02840 169.8
[M+K]+ 289.95774 154.2
[M+H-H2O]+ 233.99184 151.5
[M+HCOO]- 295.99278 171.8
[M+CH3COO]- 310.00843 166.7
[M+Na-2H]- 271.96925 157.2
[M]+ 250.99403 171.5
[M]- 250.99513 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