CID 12090361

1-chloro-3-(methoxymethyl)-2-nitrobenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

201.01927 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.026546 138.5
[M+Na]+ 224.008488 147.4
[M-H]- 200.011994 142.5
[M+NH4]+ 219.053093 158.1
[M+K]+ 239.982428 140.8
[M+H-H2O]+ 184.016530 138.6
[M+HCOO]- 246.017471 160.2
[M+CH3COO]- 260.033121 177.8
[M+Na-2H]- 221.993936 146.0
[M]+ 201.01872142 141.2
[M]- 201.01981858 141.2
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