CID 113458720

2-chloro-6-(3,5-dimethylphenoxy)aniline

Structural Information

Molecular Formula
C14H14ClNO
SMILES
CC1=CC(=CC(=C1)OC2=C(C(=CC=C2)Cl)N)C
InChI
InChI=1S/C14H14ClNO/c1-9-6-10(2)8-11(7-9)17-13-5-3-4-12(15)14(13)16/h3-8H,16H2,1-2H3
InChIKey
UTCWAMODOYJOBT-UHFFFAOYSA-N
Compound name
2-chloro-6-(3,5-dimethylphenoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.07639 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.08367 154.2
[M+Na]+ 270.06561 164.5
[M-H]- 246.06911 161.2
[M+NH4]+ 265.11021 172.6
[M+K]+ 286.03955 159.0
[M+H-H2O]+ 230.07365 148.0
[M+HCOO]- 292.07459 174.6
[M+CH3COO]- 306.09024 196.6
[M+Na-2H]- 268.05106 158.1
[M]+ 247.07584 156.8
[M]- 247.07694 156.8
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.