CID 130090949

1-(2,4-dichloro-1,3-thiazol-5-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C4H4Cl2N2S
SMILES
C(C1=C(N=C(S1)Cl)Cl)N
InChI
InChI=1S/C4H4Cl2N2S/c5-3-2(1-7)9-4(6)8-3/h1,7H2
InChIKey
ZJTWVOWQPCIXHF-UHFFFAOYSA-N
Compound name
(2,4-dichloro-1,3-thiazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.94722 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.95450 131.9
[M+Na]+ 204.93644 143.4
[M-H]- 180.93994 134.2
[M+NH4]+ 199.98104 154.0
[M+K]+ 220.91038 138.4
[M+H-H2O]+ 164.94448 128.0
[M+HCOO]- 226.94542 142.6
[M+CH3COO]- 240.96107 177.9
[M+Na-2H]- 202.92189 133.3
[M]+ 181.94667 134.7
[M]- 181.94777 134.7
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.