CID 594856

N-(10-bromodec-1-yl)phthalimide

Structural Information

Molecular Formula
C18H24BrNO2
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCCCCCCBr
InChI
InChI=1S/C18H24BrNO2/c19-13-9-5-3-1-2-4-6-10-14-20-17(21)15-11-7-8-12-16(15)18(20)22/h7-8,11-12H,1-6,9-10,13-14H2
InChIKey
LJFIOTMXPRSHSB-UHFFFAOYSA-N
Compound name
2-(10-bromodecyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

161
Patents

365.09903 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.10631 183.4
[M+Na]+ 388.08825 193.5
[M-H]- 364.09175 188.2
[M+NH4]+ 383.13285 201.6
[M+K]+ 404.06219 180.3
[M+H-H2O]+ 348.09629 182.0
[M+HCOO]- 410.09723 201.2
[M+CH3COO]- 424.11288 212.8
[M+Na-2H]- 386.07370 185.2
[M]+ 365.09848 205.8
[M]- 365.09958 205.8
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