CID 154699915

Ns00117637

Structural Information

Molecular Formula
C14H13Cl2NO2
SMILES
C1=CC(=C(C(=C1)Cl)NC2=C(C=C(C=C2)O)CCO)Cl
InChI
InChI=1S/C14H13Cl2NO2/c15-11-2-1-3-12(16)14(11)17-13-5-4-10(19)8-9(13)6-7-18/h1-5,8,17-19H,6-7H2
InChIKey
QXCJJTXPLFSTFY-UHFFFAOYSA-N
Compound name
4-(2,6-dichloroanilino)-3-(2-hydroxyethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.03235 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.03963 162.5
[M+Na]+ 320.02157 172.2
[M-H]- 296.02507 166.5
[M+NH4]+ 315.06617 178.1
[M+K]+ 335.99551 164.7
[M+H-H2O]+ 280.02961 157.5
[M+HCOO]- 342.03055 175.7
[M+CH3COO]- 356.04620 198.9
[M+Na-2H]- 318.00702 165.9
[M]+ 297.03180 165.2
[M]- 297.03290 165.2
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

No patent data available for this compound.