CID 386007

Nsc677541

Structural Information

Molecular Formula
C17H11N3O3
SMILES
C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=CC=C3C(=O)O)N=O
InChI
InChI=1S/C17H11N3O3/c21-17(22)13-7-3-4-8-14(13)18-19-16-12-6-2-1-5-11(12)9-10-15(16)20-23/h1-10H,(H,21,22)
InChIKey
NSUYBVWMAQVHSO-UHFFFAOYSA-N
Compound name
2-[(2-nitrosonaphthalen-1-yl)diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.08005 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.08733 165.5
[M+Na]+ 328.06927 173.4
[M-H]- 304.07277 176.2
[M+NH4]+ 323.11387 181.4
[M+K]+ 344.04321 170.6
[M+H-H2O]+ 288.07731 156.0
[M+HCOO]- 350.07825 194.7
[M+CH3COO]- 364.09390 216.4
[M+Na-2H]- 326.05472 174.2
[M]+ 305.07950 168.5
[M]- 305.08060 168.5
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

No patent data available for this compound.