CID 66591413

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

Structural Information

Molecular Formula
C7H5Cl2NO2
SMILES
C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])CCl
InChI
InChI=1S/C7H5Cl2NO2/c8-4-5-2-1-3-6(9)7(5)10(11)12/h1-3H,4H2
InChIKey
HSHFNZYZSHJQQH-UHFFFAOYSA-N
Compound name
1-chloro-3-(chloromethyl)-2-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

204.96973 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.97701 135.1
[M+Na]+ 227.95895 151.0
[M+NH4]+ 223.00355 144.7
[M+K]+ 243.93289 145.7
[M-H]- 203.96245 138.9
[M+Na-2H]- 225.94440 142.8
[M]+ 204.96918 139.1
[M]- 204.97028 139.1
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