CID 34440

2-benzofuranmethylamine, 2,3-dihydro-5-chloro-, hydrochloride

Structural Information

Molecular Formula
C9H10ClNO
SMILES
C1C(OC2=C1C=C(C=C2)Cl)CN
InChI
InChI=1S/C9H10ClNO/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-3,8H,4-5,11H2
InChIKey
AICZCYWRASYRJI-UHFFFAOYSA-N
Compound name
(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

183.04509 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.052366 137.2
[M+Na]+ 206.034308 146.8
[M-H]- 182.037814 142.0
[M+NH4]+ 201.078913 159.3
[M+K]+ 222.008248 143.4
[M+H-H2O]+ 166.042350 132.8
[M+HCOO]- 228.043291 155.9
[M+CH3COO]- 242.058941 151.3
[M+Na-2H]- 204.019756 143.2
[M]+ 183.04454142 138.2
[M]- 183.04563858 138.2
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