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 149.7
[M+Na]+ 268.03471 159.5
[M-H]- 244.03821 154.1
[M+NH4]+ 263.07931 168.0
[M+K]+ 284.00865 153.0
[M+H-H2O]+ 228.04275 149.7
[M+HCOO]- 290.04369 170.9
[M+CH3COO]- 304.05934 188.2
[M+Na-2H]- 266.02016 155.1
[M]+ 245.04494 155.3
[M]- 245.04604 155.3
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.