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]+ 248.08367 154.4
[M+Na]+ 270.06561 162.6
[M-H]- 246.06911 160.7
[M+NH4]+ 265.11021 172.1
[M+K]+ 286.03955 157.4
[M+H-H2O]+ 230.07365 147.9
[M+HCOO]- 292.07459 173.9
[M+CH3COO]- 306.09024 195.1
[M+Na-2H]- 268.05106 158.6
[M]+ 247.07584 155.7
[M]- 247.07694 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.