CID 130064557

1427445-00-8

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]+ 231.95232 141.7
[M+Na]+ 253.93426 155.6
[M-H]- 229.93776 146.6
[M+NH4]+ 248.97886 165.4
[M+K]+ 269.90820 142.1
[M+H-H2O]+ 213.94230 143.1
[M+HCOO]- 275.94324 156.4
[M+CH3COO]- 289.95889 156.9
[M+Na-2H]- 251.91971 148.6
[M]+ 230.94449 159.3
[M]- 230.94559 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.