CID 22220919

675109-26-9

Structural Information

Molecular Formula
C8H6BrNO
SMILES
C1C2=C(C=C(C=C2)Br)C(=O)N1
InChI
InChI=1S/C8H6BrNO/c9-6-2-1-5-4-10-8(11)7(5)3-6/h1-3H,4H2,(H,10,11)
InChIKey
HYTCKZQYVIURAW-UHFFFAOYSA-N
Compound name
6-bromo-2,3-dihydroisoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

391
Patents

210.96329 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.970566 137.2
[M+Na]+ 233.952508 150.2
[M-H]- 209.956014 142.3
[M+NH4]+ 228.997113 160.7
[M+K]+ 249.926448 138.6
[M+H-H2O]+ 193.960550 138.0
[M+HCOO]- 255.961491 156.7
[M+CH3COO]- 269.977141 152.7
[M+Na-2H]- 231.937956 144.6
[M]+ 210.96274142 153.8
[M]- 210.96383858 153.8
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