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[3,2-c]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

201.92003 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.92731 125.3
[M+Na]+ 224.90925 142.1
[M-H]- 200.91275 130.8
[M+NH4]+ 219.95385 150.9
[M+K]+ 240.88319 131.0
[M+H-H2O]+ 184.91729 127.0
[M+HCOO]- 246.91823 143.5
[M+CH3COO]- 260.93388 142.7
[M+Na-2H]- 222.89470 131.8
[M]+ 201.91948 146.6
[M]- 201.92058 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