CID 88680

Solvent red 135

Structural Information

Molecular Formula
C18H6Cl4N2O
SMILES
C1=CC2=C3C(=C1)N=C4C5=C(C(=C(C(=C5Cl)Cl)Cl)Cl)C(=O)N4C3=CC=C2
InChI
InChI=1S/C18H6Cl4N2O/c19-13-11-12(14(20)16(22)15(13)21)18(25)24-9-6-2-4-7-3-1-5-8(10(7)9)23-17(11)24/h1-6H
InChIKey
UBZVRROHBDDCQY-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrachloro-2,11-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),4(9),5,7,10,12,14,16(20),17-nonaen-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2528
Patents

405.92343 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.93071 188.6
[M+Na]+ 428.91265 203.1
[M-H]- 404.91615 189.6
[M+NH4]+ 423.95725 204.4
[M+K]+ 444.88659 195.1
[M+H-H2O]+ 388.92069 181.4
[M+HCOO]- 450.92163 185.3
[M+CH3COO]- 464.93728 197.5
[M+Na-2H]- 426.89810 189.7
[M]+ 405.92288 195.0
[M]- 405.92398 195.0
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