CID 5490271

50610-28-1

Structural Information

Molecular Formula
C8H10ClN3O3
SMILES
C1=C(C(=CC(=C1Cl)NCCO)[N+](=O)[O-])N
InChI
InChI=1S/C8H10ClN3O3/c9-5-3-6(10)8(12(14)15)4-7(5)11-1-2-13/h3-4,11,13H,1-2,10H2
InChIKey
QNJWQAYYVNKOKR-UHFFFAOYSA-N
Compound name
2-(4-amino-2-chloro-5-nitroanilino)ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4619
Patents

231.04106 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.04834 145.4
[M+Na]+ 254.03028 152.8
[M-H]- 230.03378 147.5
[M+NH4]+ 249.07488 162.1
[M+K]+ 270.00422 144.8
[M+H-H2O]+ 214.03832 145.0
[M+HCOO]- 276.03926 166.9
[M+CH3COO]- 290.05491 185.2
[M+Na-2H]- 252.01573 151.5
[M]+ 231.04051 144.0
[M]- 231.04161 144.0
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