CID 71565251

3-(4-chlorophenoxy)-4-methylaniline

Structural Information

Molecular Formula
C13H12ClNO
SMILES
CC1=C(C=C(C=C1)N)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H12ClNO/c1-9-2-5-11(15)8-13(9)16-12-6-3-10(14)4-7-12/h2-8H,15H2,1H3
InChIKey
CCOFNKUNVRWJRM-UHFFFAOYSA-N
Compound name
3-(4-chlorophenoxy)-4-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.06075 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.06803 149.6
[M+Na]+ 256.04997 159.5
[M-H]- 232.05347 156.4
[M+NH4]+ 251.09457 168.3
[M+K]+ 272.02391 154.1
[M+H-H2O]+ 216.05801 143.5
[M+HCOO]- 278.05895 170.4
[M+CH3COO]- 292.07460 192.4
[M+Na-2H]- 254.03542 154.9
[M]+ 233.06020 151.5
[M]- 233.06130 151.5
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.