CID 43515589

(3,5-dichloro-2-methoxyphenyl)methanamine hydrochloride

Structural Information

Molecular Formula
C8H9Cl2NO
SMILES
COC1=C(C=C(C=C1Cl)Cl)CN
InChI
InChI=1S/C8H9Cl2NO/c1-12-8-5(4-11)2-6(9)3-7(8)10/h2-3H,4,11H2,1H3
InChIKey
FFNJRSKFZOUBLN-UHFFFAOYSA-N
Compound name
(3,5-dichloro-2-methoxyphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

205.00612 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.013396 138.9
[M+Na]+ 227.995338 149.8
[M-H]- 203.998844 142.1
[M+NH4]+ 223.039943 159.4
[M+K]+ 243.969278 144.7
[M+H-H2O]+ 188.003380 135.4
[M+HCOO]- 250.004321 154.7
[M+CH3COO]- 264.019971 186.5
[M+Na-2H]- 225.980786 143.4
[M]+ 205.00557142 142.2
[M]- 205.00666858 142.2
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

patents stripe