CID 36421

2,3-dihydro-5,7-dichloro-2-benzofuranmethylamine hydrochloride

Structural Information

Molecular Formula
C9H9Cl2NO
SMILES
C1C(OC2=C1C=C(C=C2Cl)Cl)CN
InChI
InChI=1S/C9H9Cl2NO/c10-6-1-5-2-7(4-12)13-9(5)8(11)3-6/h1,3,7H,2,4,12H2
InChIKey
ZBQZTPJURPAGDG-UHFFFAOYSA-N
Compound name
(5,7-dichloro-2,3-dihydro-1-benzofuran-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.00612 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.01340 140.6
[M+Na]+ 239.99534 154.4
[M+NH4]+ 235.03994 150.7
[M+K]+ 255.96928 148.7
[M-H]- 215.99884 144.8
[M+Na-2H]- 237.98079 145.8
[M]+ 217.00557 144.4
[M]- 217.00667 144.4
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.