CID 5382560

66959-28-2

Structural Information

Molecular Formula
C12H6N2O5
SMILES
C1=CC(=C2C(=CC=C3C2=C1C(=O)N3)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C12H6N2O5/c15-11-5-1-2-6(12(16)17)10-8(14(18)19)4-3-7(13-11)9(5)10/h1-4H,(H,13,15)(H,16,17)
InChIKey
DHCFXWRTVNXHPG-UHFFFAOYSA-N
Compound name
6-nitro-2-oxo-1H-benzo[cd]indole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.02768 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.03496 150.0
[M+Na]+ 281.01690 158.1
[M-H]- 257.02040 151.7
[M+NH4]+ 276.06150 167.3
[M+K]+ 296.99084 150.3
[M+H-H2O]+ 241.02494 148.8
[M+HCOO]- 303.02588 169.1
[M+CH3COO]- 317.04153 185.7
[M+Na-2H]- 279.00235 157.2
[M]+ 258.02713 149.0
[M]- 258.02823 149.0
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

No patent data available for this compound.