CID 71695496

4-chloro-1-benzofuran-7-amine hydrochloride

Structural Information

Molecular Formula
C8H6ClNO
SMILES
C1=CC(=C2C=COC2=C1N)Cl
InChI
InChI=1S/C8H6ClNO/c9-6-1-2-7(10)8-5(6)3-4-11-8/h1-4H,10H2
InChIKey
UVCBVZYKKALUNS-UHFFFAOYSA-N
Compound name
4-chloro-1-benzofuran-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

167.0138 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.021076 129.4
[M+Na]+ 190.003018 141.6
[M-H]- 166.006524 135.2
[M+NH4]+ 185.047623 152.5
[M+K]+ 205.976958 138.2
[M+H-H2O]+ 150.011060 125.3
[M+HCOO]- 212.012001 151.5
[M+CH3COO]- 226.027651 145.2
[M+Na-2H]- 187.988466 138.0
[M]+ 167.01325142 133.1
[M]- 167.01434858 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

patents stripe