CID 22294737

30124-09-5

Structural Information

Molecular Formula
C14H13Cl2NO
SMILES
C1=CC=C(C(=C1)CCO)NC2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C14H13Cl2NO/c15-11-5-3-6-12(16)14(11)17-13-7-2-1-4-10(13)8-9-18/h1-7,17-18H,8-9H2
InChIKey
NFWJEEBVQAMWHK-UHFFFAOYSA-N
Compound name
2-[2-(2,6-dichloroanilino)phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

281.0374 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.04468 159.9
[M+Na]+ 304.02662 169.2
[M-H]- 280.03012 164.8
[M+NH4]+ 299.07122 176.6
[M+K]+ 320.00056 161.8
[M+H-H2O]+ 264.03466 154.5
[M+HCOO]- 326.03560 174.3
[M+CH3COO]- 340.05125 198.0
[M+Na-2H]- 302.01207 164.4
[M]+ 281.03685 162.6
[M]- 281.03795 162.6
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

No patent data available for this compound.