CID 73425011

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

Structural Information

Molecular Formula
C3H2Br2N2S
SMILES
C(C1=NN=C(S1)Br)Br
InChI
InChI=1S/C3H2Br2N2S/c4-1-2-6-7-3(5)8-2/h1H2
InChIKey
YOLQUSBYYQFVTG-UHFFFAOYSA-N
Compound name
2-bromo-5-(bromomethyl)-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

255.83054 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.83782 114.1
[M+Na]+ 278.81976 128.7
[M-H]- 254.82326 120.4
[M+NH4]+ 273.86436 135.5
[M+K]+ 294.79370 113.8
[M+H-H2O]+ 238.82780 123.3
[M+HCOO]- 300.82874 128.0
[M+CH3COO]- 314.84439 194.3
[M+Na-2H]- 276.80521 122.0
[M]+ 255.82999 150.3
[M]- 255.83109 150.3
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

patents stripe