CID 3129568

1-(2-chlorophenoxy)-3-(3,6-dichloro-9h-carbazol-9-yl)-2-propanol

Structural Information

Molecular Formula
C21H16Cl3NO2
SMILES
C1=CC=C(C(=C1)OCC(CN2C3=C(C=C(C=C3)Cl)C4=C2C=CC(=C4)Cl)O)Cl
InChI
InChI=1S/C21H16Cl3NO2/c22-13-5-7-19-16(9-13)17-10-14(23)6-8-20(17)25(19)11-15(26)12-27-21-4-2-1-3-18(21)24/h1-10,15,26H,11-12H2
InChIKey
UBWGHMGWAIGKMP-UHFFFAOYSA-N
Compound name
1-(2-chlorophenoxy)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.02466 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.03194 193.2
[M+Na]+ 442.01388 204.9
[M-H]- 418.01738 197.7
[M+NH4]+ 437.05848 207.2
[M+K]+ 457.98782 196.2
[M+H-H2O]+ 402.02192 186.2
[M+HCOO]- 464.02286 198.2
[M+CH3COO]- 478.03851 202.7
[M+Na-2H]- 439.99933 194.0
[M]+ 419.02411 201.2
[M]- 419.02521 201.2
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.