CID 9794399

2-chloro-6-(ethylamino)-4-nitrophenol

Structural Information

Molecular Formula
C8H9ClN2O3
SMILES
CCNC1=C(C(=CC(=C1)[N+](=O)[O-])Cl)O
InChI
InChI=1S/C8H9ClN2O3/c1-2-10-7-4-5(11(13)14)3-6(9)8(7)12/h3-4,10,12H,2H2,1H3
InChIKey
CDFNUSAXZDSXKF-UHFFFAOYSA-N
Compound name
2-chloro-6-(ethylamino)-4-nitrophenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

5393
Patents

216.03017 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.03745 141.8
[M+Na]+ 239.01939 150.2
[M-H]- 215.02289 144.5
[M+NH4]+ 234.06399 159.8
[M+K]+ 254.99333 142.6
[M+H-H2O]+ 199.02743 141.9
[M+HCOO]- 261.02837 162.9
[M+CH3COO]- 275.04402 180.9
[M+Na-2H]- 237.00484 148.5
[M]+ 216.02962 142.1
[M]- 216.03072 142.1
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

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