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

407
Patents

210.96329 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.97057 137.2
[M+Na]+ 233.95251 150.2
[M-H]- 209.95601 142.3
[M+NH4]+ 228.99711 160.7
[M+K]+ 249.92645 138.6
[M+H-H2O]+ 193.96055 138.0
[M+HCOO]- 255.96149 156.7
[M+CH3COO]- 269.97714 152.7
[M+Na-2H]- 231.93796 144.6
[M]+ 210.96274 153.8
[M]- 210.96384 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