CID 4487552

5-chloro-2-(4-chloro-3-methylphenoxy)aniline

Structural Information

Molecular Formula
C13H11Cl2NO
SMILES
CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)Cl)N)Cl
InChI
InChI=1S/C13H11Cl2NO/c1-8-6-10(3-4-11(8)15)17-13-5-2-9(14)7-12(13)16/h2-7H,16H2,1H3
InChIKey
VPFGSPAWSNTXNO-UHFFFAOYSA-N
Compound name
5-chloro-2-(4-chloro-3-methylphenoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.02176 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.02904 155.8
[M+Na]+ 290.01098 172.8
[M+NH4]+ 285.05558 165.7
[M+K]+ 305.98492 163.5
[M-H]- 266.01448 161.5
[M+Na-2H]- 287.99643 165.6
[M]+ 267.02121 160.7
[M]- 267.02231 160.7
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.