CID 66545107

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

Structural Information

Molecular Formula
C8H5BrN2O2S
SMILES
C1=CC(=CC=C1O)OC2=NN=C(S2)Br
InChI
InChI=1S/C8H5BrN2O2S/c9-7-10-11-8(14-7)13-6-3-1-5(12)2-4-6/h1-4,12H
InChIKey
NZKKMMCHFUZBIE-UHFFFAOYSA-N
Compound name
4-[(5-bromo-1,3,4-thiadiazol-2-yl)oxy]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

271.9255 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.93278 138.7
[M+Na]+ 294.91472 153.1
[M-H]- 270.91822 145.7
[M+NH4]+ 289.95932 158.5
[M+K]+ 310.88866 141.6
[M+H-H2O]+ 254.92276 138.9
[M+HCOO]- 316.92370 155.6
[M+CH3COO]- 330.93935 154.4
[M+Na-2H]- 292.90017 144.4
[M]+ 271.92495 160.4
[M]- 271.92605 160.4
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

patents stripe