CID 20351760

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

Structural Information

Molecular Formula
C4H5BrN2OS
SMILES
COCC1=NN=C(S1)Br
InChI
InChI=1S/C4H5BrN2OS/c1-8-2-3-6-7-4(5)9-3/h2H2,1H3
InChIKey
WLFHBDROTUDXEH-UHFFFAOYSA-N
Compound name
2-bromo-5-(methoxymethyl)-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

207.9306 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.93788 123.9
[M+Na]+ 230.91982 138.7
[M-H]- 206.92332 129.0
[M+NH4]+ 225.96442 147.0
[M+K]+ 246.89376 128.7
[M+H-H2O]+ 190.92786 124.4
[M+HCOO]- 252.92880 141.7
[M+CH3COO]- 266.94445 179.6
[M+Na-2H]- 228.90527 130.2
[M]+ 207.93005 146.5
[M]- 207.93115 146.5
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