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]+ 255.942626 138.1
[M+Na]+ 277.924568 152.4
[M-H]- 253.928074 146.3
[M+NH4]+ 272.969173 159.9
[M+K]+ 293.898508 140.2
[M+H-H2O]+ 237.932610 138.9
[M+HCOO]- 299.933551 155.6
[M+CH3COO]- 313.949201 154.2
[M+Na-2H]- 275.910016 143.2
[M]+ 254.93480142 158.4
[M]- 254.93589858 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