CID 63384137

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

Structural Information

Molecular Formula
C6H7BrN2S
SMILES
C1CC1CC2=NN=C(S2)Br
InChI
InChI=1S/C6H7BrN2S/c7-6-9-8-5(10-6)3-4-1-2-4/h4H,1-3H2
InChIKey
YLXFPIWLAWPFIO-UHFFFAOYSA-N
Compound name
2-bromo-5-(cyclopropylmethyl)-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.95132 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.95860 127.2
[M+Na]+ 240.94054 131.8
[M+NH4]+ 235.98514 133.5
[M+K]+ 256.91448 133.0
[M-H]- 216.94404 134.0
[M+Na-2H]- 238.92599 133.5
[M]+ 217.95077 130.0
[M]- 217.95187 130.0
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.