CID 54595129

1183375-86-1

Structural Information

Molecular Formula
C14H14ClNO
SMILES
COC1=CC=CC(=C1)C(C2=CC=CC=C2Cl)N
InChI
InChI=1S/C14H14ClNO/c1-17-11-6-4-5-10(9-11)14(16)12-7-2-3-8-13(12)15/h2-9,14H,16H2,1H3
InChIKey
GWFCQIPXJWTDTO-UHFFFAOYSA-N
Compound name
(2-chlorophenyl)-(3-methoxyphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.07639 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.083666 154.4
[M+Na]+ 270.065608 162.6
[M-H]- 246.069114 160.7
[M+NH4]+ 265.110213 172.1
[M+K]+ 286.039548 157.4
[M+H-H2O]+ 230.073650 147.9
[M+HCOO]- 292.074591 173.9
[M+CH3COO]- 306.090241 195.1
[M+Na-2H]- 268.051056 158.6
[M]+ 247.07584142 155.7
[M]- 247.07693858 155.7
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.