CID 19701949

4-nitro-2,3-dihydro-1h-isoindole hydrochloride

Structural Information

Molecular Formula
C8H8N2O2
SMILES
C1C2=C(CN1)C(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C8H8N2O2/c11-10(12)8-3-1-2-6-4-9-5-7(6)8/h1-3,9H,4-5H2
InChIKey
QQSCKBOYBWKHIJ-UHFFFAOYSA-N
Compound name
4-nitro-2,3-dihydro-1H-isoindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

164.05858 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.06586 130.5
[M+Na]+ 187.04780 137.8
[M-H]- 163.05130 132.6
[M+NH4]+ 182.09240 151.1
[M+K]+ 203.02174 131.0
[M+H-H2O]+ 147.05584 129.3
[M+HCOO]- 209.05678 153.0
[M+CH3COO]- 223.07243 168.4
[M+Na-2H]- 185.03325 139.1
[M]+ 164.05803 126.0
[M]- 164.05913 126.0
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