CID 13346880

3-(bromomethyl)-1,2,5-thiadiazole

Structural Information

Molecular Formula
C3H3BrN2S
SMILES
C1=NSN=C1CBr
InChI
InChI=1S/C3H3BrN2S/c4-1-3-2-5-7-6-3/h2H,1H2
InChIKey
LJZAHEYFCLYGND-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-1,2,5-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

177.92003 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.92731 121.2
[M+Na]+ 200.90925 124.1
[M+NH4]+ 195.95385 126.9
[M+K]+ 216.88319 124.3
[M-H]- 176.91275 121.0
[M+Na-2H]- 198.89470 124.7
[M]+ 177.91948 120.7
[M]- 177.92058 120.7
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