CID 87172

17601-86-4

Structural Information

Molecular Formula
C20H12Cl3N3
SMILES
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)N=NC4=CC(=C(C=C4Cl)Cl)Cl
InChI
InChI=1S/C20H12Cl3N3/c21-14-10-16(23)18(11-15(14)22)25-26-20-13-8-4-5-9-17(13)24-19(20)12-6-2-1-3-7-12/h1-11,24H
InChIKey
HHLFUASWQJDOFC-UHFFFAOYSA-N
Compound name
(2-phenyl-1H-indol-3-yl)-(2,4,5-trichlorophenyl)diazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.00967 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.01695 193.7
[M+Na]+ 421.99889 205.8
[M-H]- 398.00239 202.5
[M+NH4]+ 417.04349 207.8
[M+K]+ 437.97283 196.3
[M+H-H2O]+ 382.00693 184.6
[M+HCOO]- 444.00787 205.7
[M+CH3COO]- 458.02352 204.1
[M+Na-2H]- 419.98434 196.5
[M]+ 399.00912 199.6
[M]- 399.01022 199.6
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

patents stripe