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]+ 256.93788 135.9
[M+Na]+ 278.91982 150.6
[M-H]- 254.92332 142.9
[M+NH4]+ 273.96442 156.4
[M+K]+ 294.89376 138.6
[M+H-H2O]+ 238.92786 136.3
[M+HCOO]- 300.92880 152.7
[M+CH3COO]- 314.94445 151.8
[M+Na-2H]- 276.90527 141.5
[M]+ 255.93005 156.4
[M]- 255.93115 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.