CID 253681

17702-83-9

Structural Information

Molecular Formula
C16H20BrNO2
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCCCCBr
InChI
InChI=1S/C16H20BrNO2/c17-11-7-3-1-2-4-8-12-18-15(19)13-9-5-6-10-14(13)16(18)20/h5-6,9-10H,1-4,7-8,11-12H2
InChIKey
LAMUQORCSIHVMC-UHFFFAOYSA-N
Compound name
2-(8-bromooctyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

177
Patents

337.06775 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.07503 174.2
[M+Na]+ 360.05697 185.2
[M-H]- 336.06047 179.5
[M+NH4]+ 355.10157 193.6
[M+K]+ 376.03091 172.5
[M+H-H2O]+ 320.06501 173.3
[M+HCOO]- 382.06595 192.7
[M+CH3COO]- 396.08160 207.3
[M+Na-2H]- 358.04242 177.1
[M]+ 337.06720 196.1
[M]- 337.06830 196.1
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.