CID 85119

15811-54-8

Structural Information

Molecular Formula
C16H12Cl8N2O2
SMILES
C(CO)NC1=C(C(=C(C(=C1Cl)Cl)C2=C(C(=C(C(=C2Cl)Cl)NCCO)Cl)Cl)Cl)Cl
InChI
InChI=1S/C16H12Cl8N2O2/c17-7-5(8(18)12(22)15(11(7)21)25-1-3-27)6-9(19)13(23)16(26-2-4-28)14(24)10(6)20/h25-28H,1-4H2
InChIKey
IQQMBEJKKYHXKS-UHFFFAOYSA-N
Compound name
2-[2,3,5,6-tetrachloro-4-[2,3,5,6-tetrachloro-4-(2-hydroxyethylamino)phenyl]anilino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

543.8407 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.84798 214.1
[M+Na]+ 566.82992 218.9
[M-H]- 542.83342 206.2
[M+NH4]+ 561.87452 217.2
[M+K]+ 582.80386 216.9
[M+H-H2O]+ 526.83796 211.7
[M+HCOO]- 588.83890 196.7
[M+CH3COO]- 602.85455 242.8
[M+Na-2H]- 564.81537 203.2
[M]+ 543.84015 207.4
[M]- 543.84125 207.4
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