CID 88714

2-nitroso-1h-indene-1,3(2h)-dione

Structural Information

Molecular Formula
C9H5NO3
SMILES
C1=CC=C2C(=C1)C(=O)C(C2=O)N=O
InChI
InChI=1S/C9H5NO3/c11-8-5-3-1-2-4-6(5)9(12)7(8)10-13/h1-4,7H
InChIKey
ZQQVLLUALVAKKD-UHFFFAOYSA-N
Compound name
2-nitrosoindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

175.02695 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.03423 129.1
[M+Na]+ 198.01617 139.9
[M-H]- 174.01967 136.0
[M+NH4]+ 193.06077 152.9
[M+K]+ 213.99011 138.1
[M+H-H2O]+ 158.02421 123.9
[M+HCOO]- 220.02515 156.7
[M+CH3COO]- 234.04080 183.5
[M+Na-2H]- 196.00162 136.2
[M]+ 175.02640 131.7
[M]- 175.02750 131.7
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