CID 5483754

15595-24-1

Structural Information

Molecular Formula
C12H6Cl2N2O6
SMILES
C1=C(C=C(C(=C1C2=C(C(=CC(=C2)[N+](=O)[O-])Cl)O)O)Cl)[N+](=O)[O-]
InChI
InChI=1S/C12H6Cl2N2O6/c13-9-3-5(15(19)20)1-7(11(9)17)8-2-6(16(21)22)4-10(14)12(8)18/h1-4,17-18H
InChIKey
JMDGYNMVECCCBV-UHFFFAOYSA-N
Compound name
2-chloro-6-(3-chloro-2-hydroxy-5-nitrophenyl)-4-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

343.9603 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.967576 171.4
[M+Na]+ 366.949518 178.6
[M-H]- 342.953024 175.0
[M+NH4]+ 361.994123 182.5
[M+K]+ 382.923458 166.0
[M+H-H2O]+ 326.957560 175.5
[M+HCOO]- 388.958501 185.2
[M+CH3COO]- 402.974151 193.9
[M+Na-2H]- 364.934966 176.1
[M]+ 343.95975142 172.0
[M]- 343.96084858 172.0
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

patents stripe