CID 36423

2,3-dihydro-4,5,7-trichloro-2-benzofuranmethylamine hydrochloride

Structural Information

Molecular Formula
C9H8Cl3NO
SMILES
C1C(OC2=C1C(=C(C=C2Cl)Cl)Cl)CN
InChI
InChI=1S/C9H8Cl3NO/c10-6-2-7(11)9-5(8(6)12)1-4(3-13)14-9/h2,4H,1,3,13H2
InChIKey
LXPGLMOGZYXSCP-UHFFFAOYSA-N
Compound name
(4,5,7-trichloro-2,3-dihydro-1-benzofuran-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.96715 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.97443 153.4
[M+Na]+ 273.95637 164.8
[M-H]- 249.95987 156.6
[M+NH4]+ 269.00097 173.4
[M+K]+ 289.93031 159.2
[M+H-H2O]+ 233.96441 150.5
[M+HCOO]- 295.96535 161.2
[M+CH3COO]- 309.98100 165.7
[M+Na-2H]- 271.94182 155.7
[M]+ 250.96660 156.1
[M]- 250.96770 156.1
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.