CID 7020339

2,4-dichloro-3-ethyl-6-nitrophenol

Structural Information

Molecular Formula
C8H7Cl2NO3
SMILES
CCC1=C(C=C(C(=C1Cl)O)[N+](=O)[O-])Cl
InChI
InChI=1S/C8H7Cl2NO3/c1-2-4-5(9)3-6(11(13)14)8(12)7(4)10/h3,12H,2H2,1H3
InChIKey
YTVCECQSAPGJBB-UHFFFAOYSA-N
Compound name
2,4-dichloro-3-ethyl-6-nitrophenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

88
Patents

234.9803 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.98758 144.0
[M+Na]+ 257.96952 154.2
[M-H]- 233.97302 146.3
[M+NH4]+ 253.01412 162.3
[M+K]+ 273.94346 145.7
[M+H-H2O]+ 217.97756 145.9
[M+HCOO]- 279.97850 159.0
[M+CH3COO]- 293.99415 182.1
[M+Na-2H]- 255.95497 148.9
[M]+ 234.97975 146.6
[M]- 234.98085 146.6
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

patents stripe