CID 12912

Brn 0667424

Structural Information

Molecular Formula
C14H11N3O3
SMILES
C1=CC=C(C=C1)C(=O)NNC2=CC=C(C=CC2=O)N=O
InChI
InChI=1S/C14H11N3O3/c18-13-9-7-11(17-20)6-8-12(13)15-16-14(19)10-4-2-1-3-5-10/h1-9H,(H,15,18)(H,16,19)
InChIKey
FYVMVDFXQYNRKM-UHFFFAOYSA-N
Compound name
N'-(4-nitroso-7-oxocyclohepta-1,3,5-trien-1-yl)benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.08005 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.08733 158.7
[M+Na]+ 292.06927 163.7
[M-H]- 268.07277 168.1
[M+NH4]+ 287.11387 173.4
[M+K]+ 308.04321 167.3
[M+H-H2O]+ 252.07731 150.9
[M+HCOO]- 314.07825 186.6
[M+CH3COO]- 328.09390 206.2
[M+Na-2H]- 290.05472 165.0
[M]+ 269.07950 156.6
[M]- 269.08060 156.6
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.