CID 136056797

Benzeneethanol, 4-hydroxy-3-((2-nitrophenyl)azo)-

Structural Information

Molecular Formula
C14H13N3O4
SMILES
C1=CC=C(C(=C1)N=NC2=C(C=CC(=C2)CCO)O)[N+](=O)[O-]
InChI
InChI=1S/C14H13N3O4/c18-8-7-10-5-6-14(19)12(9-10)16-15-11-3-1-2-4-13(11)17(20)21/h1-6,9,18-19H,7-8H2
InChIKey
HMORZVUYARQQFV-UHFFFAOYSA-N
Compound name
4-(2-hydroxyethyl)-2-[(2-nitrophenyl)diazenyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

287.0906 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.09788 160.9
[M+Na]+ 310.07982 166.7
[M-H]- 286.08332 167.9
[M+NH4]+ 305.12442 174.8
[M+K]+ 326.05376 159.7
[M+H-H2O]+ 270.08786 156.8
[M+HCOO]- 332.08880 188.7
[M+CH3COO]- 346.10445 199.2
[M+Na-2H]- 308.06527 168.9
[M]+ 287.09005 160.4
[M]- 287.09115 160.4
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

patents stripe