CID 11064282

5-(chloromethyl)-1,2-dimethoxy-3-nitrobenzene

Structural Information

Molecular Formula
C9H10ClNO4
SMILES
COC1=CC(=CC(=C1OC)[N+](=O)[O-])CCl
InChI
InChI=1S/C9H10ClNO4/c1-14-8-4-6(5-10)3-7(11(12)13)9(8)15-2/h3-4H,5H2,1-2H3
InChIKey
WFSXLEKNOFWVRE-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-1,2-dimethoxy-3-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

231.02983 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.03711 145.6
[M+Na]+ 254.01905 154.8
[M-H]- 230.02255 149.7
[M+NH4]+ 249.06365 164.1
[M+K]+ 269.99299 148.6
[M+H-H2O]+ 214.02709 145.5
[M+HCOO]- 276.02803 167.1
[M+CH3COO]- 290.04368 184.0
[M+Na-2H]- 252.00450 152.1
[M]+ 231.02928 150.4
[M]- 231.03038 150.4
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