CID 43512013

6,7-dichloro-2,3-dihydro-1-benzofuran-3-amine hydrochloride

Structural Information

Molecular Formula
C8H7Cl2NO
SMILES
C1C(C2=C(O1)C(=C(C=C2)Cl)Cl)N
InChI
InChI=1S/C8H7Cl2NO/c9-5-2-1-4-6(11)3-12-8(4)7(5)10/h1-2,6H,3,11H2
InChIKey
URMAYQIYUBDETJ-UHFFFAOYSA-N
Compound name
6,7-dichloro-2,3-dihydro-1-benzofuran-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

202.99046 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.99774 140.5
[M+Na]+ 225.97968 151.8
[M-H]- 201.98318 145.0
[M+NH4]+ 221.02428 162.4
[M+K]+ 241.95362 147.2
[M+H-H2O]+ 185.98772 137.2
[M+HCOO]- 247.98866 154.3
[M+CH3COO]- 262.00431 154.4
[M+Na-2H]- 223.96513 145.4
[M]+ 202.98991 142.6
[M]- 202.99101 142.6
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