CID 130064557

4-bromo-7-chloro-2,3-dihydro-1h-isoindole

Structural Information

Molecular Formula
C8H7BrClN
SMILES
C1C2=C(C=CC(=C2CN1)Br)Cl
InChI
InChI=1S/C8H7BrClN/c9-7-1-2-8(10)6-4-11-3-5(6)7/h1-2,11H,3-4H2
InChIKey
ZZKVXMUNJMIVAN-UHFFFAOYSA-N
Compound name
4-bromo-7-chloro-2,3-dihydro-1H-isoindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.94504 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.952316 141.7
[M+Na]+ 253.934258 155.6
[M-H]- 229.937764 146.6
[M+NH4]+ 248.978863 165.4
[M+K]+ 269.908198 142.1
[M+H-H2O]+ 213.942300 143.1
[M+HCOO]- 275.943241 156.4
[M+CH3COO]- 289.958891 156.9
[M+Na-2H]- 251.919706 148.6
[M]+ 230.94449142 159.3
[M]- 230.94558858 159.3
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

No patent data available for this compound.