CID 105747

2-ethoxy-3-methoxy-5-methyl-4-nitrochlorobenzene

Structural Information

Molecular Formula
C10H12ClNO4
SMILES
CCOC1=C(C=C(C(=C1OC)[N+](=O)[O-])C)Cl
InChI
InChI=1S/C10H12ClNO4/c1-4-16-9-7(11)5-6(2)8(12(13)14)10(9)15-3/h5H,4H2,1-3H3
InChIKey
DKCFHMMMWZWEMZ-UHFFFAOYSA-N
Compound name
1-chloro-2-ethoxy-3-methoxy-5-methyl-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.04549 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.05277 148.2
[M+Na]+ 268.03471 162.8
[M+NH4]+ 263.07931 156.1
[M+K]+ 284.00865 159.0
[M-H]- 244.03821 151.2
[M+Na-2H]- 266.02016 153.8
[M]+ 245.04494 151.3
[M]- 245.04604 151.3
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.