CID 4596794

(2-(benzo[d]thiazol-2-yl)phenyl)methanol

Structural Information

Molecular Formula
C14H11NOS
SMILES
C1=CC=C(C(=C1)CO)C2=NC3=CC=CC=C3S2
InChI
InChI=1S/C14H11NOS/c16-9-10-5-1-2-6-11(10)14-15-12-7-3-4-8-13(12)17-14/h1-8,16H,9H2
InChIKey
KZYPVFOGJLWMGU-UHFFFAOYSA-N
Compound name
[2-(1,3-benzothiazol-2-yl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

241.05614 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.06342 150.3
[M+Na]+ 264.04536 166.3
[M+NH4]+ 259.08996 160.7
[M+K]+ 280.01930 157.4
[M-H]- 240.04886 155.4
[M+Na-2H]- 262.03081 159.8
[M]+ 241.05559 154.7
[M]- 241.05669 154.7
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