CID 2306659

1,2-bis(2-chloroethoxy)-4-nitrobenzene

Structural Information

Molecular Formula
C10H11Cl2NO4
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])OCCCl)OCCCl
InChI
InChI=1S/C10H11Cl2NO4/c11-3-5-16-9-2-1-8(13(14)15)7-10(9)17-6-4-12/h1-2,7H,3-6H2
InChIKey
HYZDQDAVZVEVKU-UHFFFAOYSA-N
Compound name
1,2-bis(2-chloroethoxy)-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

279.0065 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.01378 157.7
[M+Na]+ 301.99572 165.6
[M-H]- 277.99922 160.3
[M+NH4]+ 297.04032 174.3
[M+K]+ 317.96966 157.8
[M+H-H2O]+ 262.00376 157.9
[M+HCOO]- 324.00470 173.7
[M+CH3COO]- 338.02035 190.5
[M+Na-2H]- 299.98117 163.3
[M]+ 279.00595 163.5
[M]- 279.00705 163.5
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