CID 136257576

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

Structural Information

Molecular Formula
C9H6BrNOS
SMILES
C1=CC(=CC=C1C2=NC=C(S2)Br)O
InChI
InChI=1S/C9H6BrNOS/c10-8-5-11-9(13-8)6-1-3-7(12)4-2-6/h1-5,12H
InChIKey
OTIWQHTZWDPATF-UHFFFAOYSA-N
Compound name
4-(5-bromo-1,3-thiazol-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

254.93535 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.94263 138.1
[M+Na]+ 277.92457 152.4
[M-H]- 253.92807 146.3
[M+NH4]+ 272.96917 159.9
[M+K]+ 293.89851 140.2
[M+H-H2O]+ 237.93261 138.9
[M+HCOO]- 299.93355 155.6
[M+CH3COO]- 313.94920 154.2
[M+Na-2H]- 275.91002 143.2
[M]+ 254.93480 158.4
[M]- 254.93590 158.4
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