CID 66675

1-chloro-2,5-diethoxy-4-nitrobenzene

Structural Information

Molecular Formula
C10H12ClNO4
SMILES
CCOC1=CC(=C(C=C1[N+](=O)[O-])OCC)Cl
InChI
InChI=1S/C10H12ClNO4/c1-3-15-9-6-8(12(13)14)10(16-4-2)5-7(9)11/h5-6H,3-4H2,1-2H3
InChIKey
HWLDAZMGMQYWGW-UHFFFAOYSA-N
Compound name
1-chloro-2,5-diethoxy-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
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 150.5
[M+Na]+ 268.03471 159.3
[M-H]- 244.03821 154.5
[M+NH4]+ 263.07931 168.5
[M+K]+ 284.00865 152.8
[M+H-H2O]+ 228.04275 150.2
[M+HCOO]- 290.04369 171.7
[M+CH3COO]- 304.05934 187.0
[M+Na-2H]- 266.02016 156.5
[M]+ 245.04494 155.7
[M]- 245.04604 155.7
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

patents stripe