CID 162537

Ethanol, 2-[[2-chloro-4-[(4-nitrophenyl)azo]phenyl]amino]-

Structural Information

Molecular Formula
C14H13ClN4O3
SMILES
C1=CC(=CC=C1N=NC2=CC(=C(C=C2)NCCO)Cl)[N+](=O)[O-]
InChI
InChI=1S/C14H13ClN4O3/c15-13-9-11(3-6-14(13)16-7-8-20)18-17-10-1-4-12(5-2-10)19(21)22/h1-6,9,16,20H,7-8H2
InChIKey
YTUZNWQICJBTHL-UHFFFAOYSA-N
Compound name
2-[2-chloro-4-[(4-nitrophenyl)diazenyl]anilino]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

30
Patents

320.06763 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.07491 170.2
[M+Na]+ 343.05685 176.1
[M-H]- 319.06035 177.9
[M+NH4]+ 338.10145 183.9
[M+K]+ 359.03079 167.8
[M+H-H2O]+ 303.06489 166.5
[M+HCOO]- 365.06583 195.6
[M+CH3COO]- 379.08148 208.4
[M+Na-2H]- 341.04230 178.1
[M]+ 320.06708 171.7
[M]- 320.06818 171.7
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