CID 13337800

4-chloro-2-(methoxymethyl)-1-nitrobenzene

Structural Information

Molecular Formula
C8H8ClNO3
SMILES
COCC1=C(C=CC(=C1)Cl)[N+](=O)[O-]
InChI
InChI=1S/C8H8ClNO3/c1-13-5-6-4-7(9)2-3-8(6)10(11)12/h2-4H,5H2,1H3
InChIKey
WKNPDJRAIVUWDG-UHFFFAOYSA-N
Compound name
4-chloro-2-(methoxymethyl)-1-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

201.01927 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.02655 136.3
[M+Na]+ 224.00849 151.2
[M+NH4]+ 219.05309 145.2
[M+K]+ 239.98243 146.9
[M-H]- 200.01199 139.8
[M+Na-2H]- 221.99394 143.4
[M]+ 201.01872 139.7
[M]- 201.01982 139.7
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