CID 105722

2,4-dichloro-3-ethoxy-6-methylnitrobenzene

Structural Information

Molecular Formula
C9H9Cl2NO3
SMILES
CCOC1=C(C=C(C(=C1Cl)[N+](=O)[O-])C)Cl
InChI
InChI=1S/C9H9Cl2NO3/c1-3-15-9-6(10)4-5(2)8(7(9)11)12(13)14/h4H,3H2,1-2H3
InChIKey
NHKYOVUIRFBTHE-UHFFFAOYSA-N
Compound name
1,3-dichloro-2-ethoxy-5-methyl-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.99594 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.00322 149.1
[M+Na]+ 271.98516 159.3
[M-H]- 247.98866 152.6
[M+NH4]+ 267.02976 167.5
[M+K]+ 287.95910 151.4
[M+H-H2O]+ 231.99320 150.3
[M+HCOO]- 293.99414 165.2
[M+CH3COO]- 308.00979 187.8
[M+Na-2H]- 269.97061 153.8
[M]+ 248.99539 153.8
[M]- 248.99649 153.8
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

No patent data available for this compound.