CID 291432

83502-00-5

Structural Information

Molecular Formula
C14H12N4O5
SMILES
C1=CC=C(C=C1)C(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CO
InChI
InChI=1S/C14H12N4O5/c19-9-13(10-4-2-1-3-5-10)16-15-12-7-6-11(17(20)21)8-14(12)18(22)23/h1-8,15,19H,9H2
InChIKey
HBCZLTVHJHKEPN-UHFFFAOYSA-N
Compound name
2-[(2,4-dinitrophenyl)hydrazinylidene]-2-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.08078 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.08806 166.5
[M+Na]+ 339.07000 168.9
[M-H]- 315.07350 172.5
[M+NH4]+ 334.11460 177.1
[M+K]+ 355.04394 158.3
[M+H-H2O]+ 299.07804 166.2
[M+HCOO]- 361.07898 192.9
[M+CH3COO]- 375.09463 198.5
[M+Na-2H]- 337.05545 175.1
[M]+ 316.08023 161.8
[M]- 316.08133 161.8
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.