CID 165942116

5-(bromomethyl)-3-(methoxymethyl)-1,2,4-thiadiazole

Structural Information

Molecular Formula
C5H7BrN2OS
SMILES
COCC1=NSC(=N1)CBr
InChI
InChI=1S/C5H7BrN2OS/c1-9-3-4-7-5(2-6)10-8-4/h2-3H2,1H3
InChIKey
LAQROXPBYYJSJD-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-3-(methoxymethyl)-1,2,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.94624 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.95352 128.4
[M+Na]+ 244.93546 142.7
[M-H]- 220.93896 133.3
[M+NH4]+ 239.98006 150.9
[M+K]+ 260.90940 132.5
[M+H-H2O]+ 204.94350 128.6
[M+HCOO]- 266.94444 145.8
[M+CH3COO]- 280.96009 182.4
[M+Na-2H]- 242.92091 134.1
[M]+ 221.94569 151.3
[M]- 221.94679 151.3
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

No patent data available for this compound.