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]+ 204.942956 127.3
[M+Na]+ 226.924898 143.5
[M-H]- 202.928404 135.8
[M+NH4]+ 221.969503 145.8
[M+K]+ 242.898838 132.0
[M+H-H2O]+ 186.932940 127.0
[M+HCOO]- 248.933881 145.2
[M+CH3COO]- 262.949531 143.7
[M+Na-2H]- 224.910346 133.1
[M]+ 203.93513142 148.9
[M]- 203.93622858 148.9
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