CID 18069645

4-[(3-chlorophenyl)methoxy]-2-methylaniline

Structural Information

Molecular Formula
C14H14ClNO
SMILES
CC1=C(C=CC(=C1)OCC2=CC(=CC=C2)Cl)N
InChI
InChI=1S/C14H14ClNO/c1-10-7-13(5-6-14(10)16)17-9-11-3-2-4-12(15)8-11/h2-8H,9,16H2,1H3
InChIKey
ACHNGEZHCYUMPU-UHFFFAOYSA-N
Compound name
4-[(3-chlorophenyl)methoxy]-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.07639 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.08367 154.3
[M+Na]+ 270.06561 163.7
[M-H]- 246.06911 160.9
[M+NH4]+ 265.11021 172.4
[M+K]+ 286.03955 158.1
[M+H-H2O]+ 230.07365 147.9
[M+HCOO]- 292.07459 174.7
[M+CH3COO]- 306.09024 195.4
[M+Na-2H]- 268.05106 159.0
[M]+ 247.07584 156.5
[M]- 247.07694 156.5
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.