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]+ 174.013866 135.7
[M+Na]+ 195.995808 146.6
[M-H]- 171.999314 140.7
[M+NH4]+ 191.040413 162.1
[M+K]+ 211.969748 142.3
[M+H-H2O]+ 156.003850 132.5
[M+HCOO]- 218.004791 151.4
[M+CH3COO]- 232.020441 150.3
[M+Na-2H]- 193.981256 136.5
[M]+ 173.00604142 137.3
[M]- 173.00713858 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.