CID 135978590

4-(5-bromo-1,3,4-thiadiazol-2-yl)phenol

Structural Information

Molecular Formula
C8H5BrN2OS
SMILES
C1=CC(=CC=C1C2=NN=C(S2)Br)O
InChI
InChI=1S/C8H5BrN2OS/c9-8-11-10-7(13-8)5-1-3-6(12)4-2-5/h1-4,12H
InChIKey
UCOHTXUDPYYVQF-UHFFFAOYSA-N
Compound name
4-(5-bromo-1,3,4-thiadiazol-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.9306 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.937876 135.9
[M+Na]+ 278.919818 150.6
[M-H]- 254.923324 142.9
[M+NH4]+ 273.964423 156.4
[M+K]+ 294.893758 138.6
[M+H-H2O]+ 238.927860 136.3
[M+HCOO]- 300.928801 152.7
[M+CH3COO]- 314.944451 151.8
[M+Na-2H]- 276.905266 141.5
[M]+ 255.93005142 156.4
[M]- 255.93114858 156.4
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.