CID 65274017

5-bromo-3-cyclopropyl-1,2,4-thiadiazole

Structural Information

Molecular Formula
C5H5BrN2S
SMILES
C1CC1C2=NSC(=N2)Br
InChI
InChI=1S/C5H5BrN2S/c6-5-7-4(8-9-5)3-1-2-3/h3H,1-2H2
InChIKey
FJKWDKYPIXOIMD-UHFFFAOYSA-N
Compound name
5-bromo-3-cyclopropyl-1,2,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

203.93568 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.94296 123.4
[M+Na]+ 226.92490 128.2
[M+NH4]+ 221.96950 129.8
[M+K]+ 242.89884 129.5
[M-H]- 202.92840 130.2
[M+Na-2H]- 224.91035 129.9
[M]+ 203.93513 126.2
[M]- 203.93623 126.2
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