CID 2114022

5-chloro-2-(4-chloro-2,6-dimethylphenoxy)aniline hydrochloride

Structural Information

Molecular Formula
C14H13Cl2NO
SMILES
CC1=CC(=CC(=C1OC2=C(C=C(C=C2)Cl)N)C)Cl
InChI
InChI=1S/C14H13Cl2NO/c1-8-5-11(16)6-9(2)14(8)18-13-4-3-10(15)7-12(13)17/h3-7H,17H2,1-2H3
InChIKey
XFQMQHXBYPNFFZ-UHFFFAOYSA-N
Compound name
5-chloro-2-(4-chloro-2,6-dimethylphenoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.0374 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.04468 160.5
[M+Na]+ 304.02662 172.0
[M-H]- 280.03012 167.0
[M+NH4]+ 299.07122 178.2
[M+K]+ 320.00056 165.3
[M+H-H2O]+ 264.03466 155.2
[M+HCOO]- 326.03560 175.7
[M+CH3COO]- 340.05125 202.2
[M+Na-2H]- 302.01207 162.9
[M]+ 281.03685 164.7
[M]- 281.03795 164.7
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.