CID 4487552

90207-16-2

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 156.0
[M+Na]+ 290.01098 167.1
[M-H]- 266.01448 162.2
[M+NH4]+ 285.05558 173.9
[M+K]+ 305.98492 160.5
[M+H-H2O]+ 250.01902 150.7
[M+HCOO]- 312.01996 171.6
[M+CH3COO]- 326.03561 198.1
[M+Na-2H]- 287.99643 159.6
[M]+ 267.02121 159.5
[M]- 267.02231 159.5
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.