CID 5156168

5-(2-bromoethyl)-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C4H6BrN3S
SMILES
C(CBr)C1=NN=C(S1)N
InChI
InChI=1S/C4H6BrN3S/c5-2-1-3-7-8-4(6)9-3/h1-2H2,(H2,6,8)
InChIKey
NFEHPVBUGOVFFO-UHFFFAOYSA-N
Compound name
5-(2-bromoethyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

206.94658 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.95386 124.9
[M+Na]+ 229.93580 138.7
[M-H]- 205.93930 129.2
[M+NH4]+ 224.98040 147.2
[M+K]+ 245.90974 127.3
[M+H-H2O]+ 189.94384 124.4
[M+HCOO]- 251.94478 142.5
[M+CH3COO]- 265.96043 181.5
[M+Na-2H]- 227.92125 130.5
[M]+ 206.94603 144.3
[M]- 206.94713 144.3
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