CID 2735622

N-(3-bromoprop-1-yl)-4-nitrophthalimide

Structural Information

Molecular Formula
C11H9BrN2O4
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)CCCBr
InChI
InChI=1S/C11H9BrN2O4/c12-4-1-5-13-10(15)8-3-2-7(14(17)18)6-9(8)11(13)16/h2-3,6H,1,4-5H2
InChIKey
DAVGOTODDUSCCC-UHFFFAOYSA-N
Compound name
2-(3-bromopropyl)-5-nitroisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.97458 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.98186 161.9
[M+Na]+ 334.96380 173.8
[M-H]- 310.96730 168.2
[M+NH4]+ 330.00840 181.2
[M+K]+ 350.93774 158.7
[M+H-H2O]+ 294.97184 165.4
[M+HCOO]- 356.97278 182.8
[M+CH3COO]- 370.98843 195.5
[M+Na-2H]- 332.94925 168.3
[M]+ 311.97403 181.6
[M]- 311.97513 181.6
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.