CID 165941161

3-(2,5-dichlorothiophen-3-yl)propan-1-amine hydrochloride

Structural Information

Molecular Formula
C7H9Cl2NS
SMILES
C1=C(SC(=C1CCCN)Cl)Cl
InChI
InChI=1S/C7H9Cl2NS/c8-6-4-5(2-1-3-10)7(9)11-6/h4H,1-3,10H2
InChIKey
CITXDIFKAZAFQY-UHFFFAOYSA-N
Compound name
3-(2,5-dichlorothiophen-3-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.98328 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.99056 142.2
[M+Na]+ 231.97250 152.5
[M-H]- 207.97600 145.5
[M+NH4]+ 227.01710 164.5
[M+K]+ 247.94644 146.6
[M+H-H2O]+ 191.98054 138.8
[M+HCOO]- 253.98148 153.2
[M+CH3COO]- 267.99713 184.2
[M+Na-2H]- 229.95795 142.2
[M]+ 208.98273 145.7
[M]- 208.98383 145.7
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.