CID 6424838

7-nitrooxindole

Structural Information

Molecular Formula
C8H6N2O3
SMILES
C1C2=C(C(=CC=C2)[N+](=O)[O-])NC1=O
InChI
InChI=1S/C8H6N2O3/c11-7-4-5-2-1-3-6(10(12)13)8(5)9-7/h1-3H,4H2,(H,9,11)
InChIKey
VGANBSWHOYEFKJ-UHFFFAOYSA-N
Compound name
7-nitro-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

178.03784 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.04512 132.5
[M+Na]+ 201.02706 140.7
[M-H]- 177.03056 134.9
[M+NH4]+ 196.07166 152.6
[M+K]+ 217.00100 133.9
[M+H-H2O]+ 161.03510 131.4
[M+HCOO]- 223.03604 155.3
[M+CH3COO]- 237.05169 170.5
[M+Na-2H]- 199.01251 140.6
[M]+ 178.03729 129.0
[M]- 178.03839 129.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe