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

77
Patents

132.9753 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.982576 121.7
[M+Na]+ 155.964518 132.3
[M-H]- 131.968024 125.8
[M+NH4]+ 151.009123 146.6
[M+K]+ 171.938458 128.6
[M+H-H2O]+ 115.972560 117.9
[M+HCOO]- 177.973501 138.9
[M+CH3COO]- 191.989151 169.4
[M+Na-2H]- 153.949966 124.7
[M]+ 132.97475142 123.0
[M]- 132.97584858 123.0
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