CID 59402856

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

Structural Information

Molecular Formula
C6H7BrN2S
SMILES
C1CC1C2=NN=C(S2)CBr
InChI
InChI=1S/C6H7BrN2S/c7-3-5-8-9-6(10-5)4-1-2-4/h4H,1-3H2
InChIKey
NJNWHEMXTWUORQ-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-5-cyclopropyl-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

217.95132 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.95860 131.4
[M+Na]+ 240.94054 147.1
[M-H]- 216.94404 139.7
[M+NH4]+ 235.98514 149.4
[M+K]+ 256.91448 135.5
[M+H-H2O]+ 200.94858 130.9
[M+HCOO]- 262.94952 149.0
[M+CH3COO]- 276.96517 147.3
[M+Na-2H]- 238.92599 136.7
[M]+ 217.95077 153.2
[M]- 217.95187 153.2
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