CID 81252876

2-chloro-4h,5h,6h-cyclopenta[b]thiophen-4-amine

Structural Information

Molecular Formula
C7H8ClNS
SMILES
C1CC2=C(C1N)C=C(S2)Cl
InChI
InChI=1S/C7H8ClNS/c8-7-3-4-5(9)1-2-6(4)10-7/h3,5H,1-2,9H2
InChIKey
NFNYFBDVONTICE-UHFFFAOYSA-N
Compound name
2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.00659 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.01387 135.7
[M+Na]+ 195.99581 146.6
[M-H]- 171.99931 140.7
[M+NH4]+ 191.04041 162.1
[M+K]+ 211.96975 142.3
[M+H-H2O]+ 156.00385 132.5
[M+HCOO]- 218.00479 151.4
[M+CH3COO]- 232.02044 150.3
[M+Na-2H]- 193.98126 136.5
[M]+ 173.00604 137.3
[M]- 173.00714 137.3
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.