CID 84021470

2-chloro-1-benzofuran-5-amine hydrochloride

Structural Information

Molecular Formula
C8H6ClNO
SMILES
C1=CC2=C(C=C1N)C=C(O2)Cl
InChI
InChI=1S/C8H6ClNO/c9-8-4-5-3-6(10)1-2-7(5)11-8/h1-4H,10H2
InChIKey
YQFVUFINVMRUCF-UHFFFAOYSA-N
Compound name
2-chloro-1-benzofuran-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.0138 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.02108 129.4
[M+Na]+ 190.00302 141.6
[M-H]- 166.00652 135.2
[M+NH4]+ 185.04762 152.5
[M+K]+ 205.97696 138.2
[M+H-H2O]+ 150.01106 125.3
[M+HCOO]- 212.01200 151.5
[M+CH3COO]- 226.02765 145.2
[M+Na-2H]- 187.98847 138.0
[M]+ 167.01325 133.1
[M]- 167.01435 133.1
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.