CID 57637398

5-bromo-1h-thieno[3,2-c]pyrazole

Structural Information

Molecular Formula
C5H3BrN2S
SMILES
C1=C(SC2=C1NN=C2)Br
InChI
InChI=1S/C5H3BrN2S/c6-5-1-3-4(9-5)2-7-8-3/h1-2H,(H,7,8)
InChIKey
LBUXNAQNSVZRMM-UHFFFAOYSA-N
Compound name
5-bromo-1H-thieno[2,3-d]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

201.92003 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.927306 125.3
[M+Na]+ 224.909248 142.1
[M-H]- 200.912754 130.8
[M+NH4]+ 219.953853 150.9
[M+K]+ 240.883188 131.0
[M+H-H2O]+ 184.917290 127.0
[M+HCOO]- 246.918231 143.5
[M+CH3COO]- 260.933881 142.7
[M+Na-2H]- 222.894696 131.8
[M]+ 201.91948142 146.6
[M]- 201.92057858 146.6
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