CID 3548292

3-(5-bromothiophen-2-yl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C7H6BrN3S
SMILES
C1=C(SC(=C1)Br)C2=CC(=NN2)N
InChI
InChI=1S/C7H6BrN3S/c8-6-2-1-5(12-6)4-3-7(9)11-10-4/h1-3H,(H3,9,10,11)
InChIKey
IMSSZTMAIXSKJJ-UHFFFAOYSA-N
Compound name
5-(5-bromothiophen-2-yl)-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

242.94658 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.95386 135.0
[M+Na]+ 265.93580 150.5
[M-H]- 241.93930 142.3
[M+NH4]+ 260.98040 157.4
[M+K]+ 281.90974 138.0
[M+H-H2O]+ 225.94384 135.1
[M+HCOO]- 287.94478 154.3
[M+CH3COO]- 301.96043 151.3
[M+Na-2H]- 263.92125 139.0
[M]+ 242.94603 154.3
[M]- 242.94713 154.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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