CID 49745

Brn 3476920

Structural Information

Molecular Formula
C14H10Cl2N2O5
SMILES
C1=CC=C(C(=C1)C(OC(C2=CC=CC=C2[N+](=O)[O-])Cl)Cl)[N+](=O)[O-]
InChI
InChI=1S/C14H10Cl2N2O5/c15-13(9-5-1-3-7-11(9)17(19)20)23-14(16)10-6-2-4-8-12(10)18(21)22/h1-8,13-14H
InChIKey
WGPAGWJJNNQKQP-UHFFFAOYSA-N
Compound name
1-[chloro-[chloro-(2-nitrophenyl)methoxy]methyl]-2-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.99667 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.00395 178.7
[M+Na]+ 378.98589 182.5
[M-H]- 354.98939 183.3
[M+NH4]+ 374.03049 189.5
[M+K]+ 394.95983 171.0
[M+H-H2O]+ 338.99393 181.4
[M+HCOO]- 400.99487 192.7
[M+CH3COO]- 415.01052 199.6
[M+Na-2H]- 376.97134 182.9
[M]+ 355.99612 179.6
[M]- 355.99722 179.6
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.