CID 43184846

(5-chloro-2-methoxyphenyl)(4-chlorophenyl)methanamine hydrochloride

Structural Information

Molecular Formula
C14H13Cl2NO
SMILES
COC1=C(C=C(C=C1)Cl)C(C2=CC=C(C=C2)Cl)N
InChI
InChI=1S/C14H13Cl2NO/c1-18-13-7-6-11(16)8-12(13)14(17)9-2-4-10(15)5-3-9/h2-8,14H,17H2,1H3
InChIKey
LHSLUYCWMCZCTQ-UHFFFAOYSA-N
Compound name
(5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.0374 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.04468 160.2
[M+Na]+ 304.02662 169.7
[M-H]- 280.03012 166.1
[M+NH4]+ 299.07122 177.3
[M+K]+ 320.00056 163.3
[M+H-H2O]+ 264.03466 154.7
[M+HCOO]- 326.03560 174.6
[M+CH3COO]- 340.05125 200.7
[M+Na-2H]- 302.01207 163.0
[M]+ 281.03685 163.2
[M]- 281.03795 163.2
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.