CID 53626288

2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

Structural Information

Molecular Formula
C13H13NOS
SMILES
C1CC(C2=C(C1)N=C(S2)C3=CC=CC=C3)O
InChI
InChI=1S/C13H13NOS/c15-11-8-4-7-10-12(11)16-13(14-10)9-5-2-1-3-6-9/h1-3,5-6,11,15H,4,7-8H2
InChIKey
KQQIRFYLRZBNPW-UHFFFAOYSA-N
Compound name
2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.0718 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.07908 148.8
[M+Na]+ 254.06102 157.4
[M-H]- 230.06452 154.1
[M+NH4]+ 249.10562 168.4
[M+K]+ 270.03496 152.6
[M+H-H2O]+ 214.06906 142.6
[M+HCOO]- 276.07000 164.0
[M+CH3COO]- 290.08565 161.2
[M+Na-2H]- 252.04647 151.2
[M]+ 231.07125 147.9
[M]- 231.07235 147.9
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.