CID 135509553

2-hydroxybenzaldehyde (4-nitrophenyl)hydrazone

Structural Information

Molecular Formula
C13H11N3O3
SMILES
C1=CC=C(C(=C1)/C=N/NC2=CC=C(C=C2)[N+](=O)[O-])O
InChI
InChI=1S/C13H11N3O3/c17-13-4-2-1-3-10(13)9-14-15-11-5-7-12(8-6-11)16(18)19/h1-9,15,17H/b14-9+
InChIKey
VQIJGQPVYQKSSH-NTEUORMPSA-N
Compound name
2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1
Patents

257.08005 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.08733 152.9
[M+Na]+ 280.06927 158.5
[M-H]- 256.07277 159.8
[M+NH4]+ 275.11387 167.9
[M+K]+ 296.04321 151.1
[M+H-H2O]+ 240.07731 149.2
[M+HCOO]- 302.07825 181.0
[M+CH3COO]- 316.09390 192.9
[M+Na-2H]- 278.05472 162.0
[M]+ 257.07950 150.4
[M]- 257.08060 150.4
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