CID 348301

7498-65-9

Structural Information

Molecular Formula
C13H6Cl2N2O5
SMILES
C1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])[N+](=O)[O-])Cl
InChI
InChI=1S/C13H6Cl2N2O5/c14-9-3-1-7(5-11(9)16(19)20)13(18)8-2-4-10(15)12(6-8)17(21)22/h1-6H
InChIKey
SOJWEAJNHAWZTG-UHFFFAOYSA-N
Compound name
bis(4-chloro-3-nitrophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

130
Patents

339.96536 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.97264 174.2
[M+Na]+ 362.95458 180.6
[M-H]- 338.95808 179.6
[M+NH4]+ 357.99918 186.2
[M+K]+ 378.92852 168.4
[M+H-H2O]+ 322.96262 177.5
[M+HCOO]- 384.96356 189.6
[M+CH3COO]- 398.97921 197.3
[M+Na-2H]- 360.94003 178.7
[M]+ 339.96481 175.4
[M]- 339.96591 175.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe