CID 41136

1,1'-methylenebis(4-chloro-3-nitrobenzene)

Structural Information

Molecular Formula
C13H8Cl2N2O4
SMILES
C1=CC(=C(C=C1CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])[N+](=O)[O-])Cl
InChI
InChI=1S/C13H8Cl2N2O4/c14-10-3-1-8(6-12(10)16(18)19)5-9-2-4-11(15)13(7-9)17(20)21/h1-4,6-7H,5H2
InChIKey
BFRCBYDUAHQXHB-UHFFFAOYSA-N
Compound name
1-chloro-4-[(4-chloro-3-nitrophenyl)methyl]-2-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.9861 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.993376 174.0
[M+Na]+ 348.975318 180.6
[M-H]- 324.978824 179.2
[M+NH4]+ 344.019923 186.7
[M+K]+ 364.949258 167.8
[M+H-H2O]+ 308.983360 177.1
[M+HCOO]- 370.984301 189.8
[M+CH3COO]- 384.999951 195.8
[M+Na-2H]- 346.960766 179.1
[M]+ 325.98555142 175.0
[M]- 325.98664858 175.0
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

No patent data available for this compound.