CID 22139823

4-chlorothiophen-3-amine

Structural Information

Molecular Formula
C4H4ClNS
SMILES
C1=C(C(=CS1)Cl)N
InChI
InChI=1S/C4H4ClNS/c5-3-1-7-2-4(3)6/h1-2H,6H2
InChIKey
XCJMRYCTWBDPQJ-UHFFFAOYSA-N
Compound name
4-chlorothiophen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

132.9753 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.98258 121.6
[M+Na]+ 155.96452 133.4
[M+NH4]+ 151.00912 132.1
[M+K]+ 171.93846 126.7
[M-H]- 131.96802 124.5
[M+Na-2H]- 153.94997 127.7
[M]+ 132.97475 124.8
[M]- 132.97585 124.8
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