CID 5272163

2-(1,3-benzothiazol-2-ylmethyl)phenol

Structural Information

Molecular Formula
C14H11NOS
SMILES
C1=CC=C(C(=C1)CC2=NC3=CC=CC=C3S2)O
InChI
InChI=1S/C14H11NOS/c16-12-7-3-1-5-10(12)9-14-15-11-6-2-4-8-13(11)17-14/h1-8,16H,9H2
InChIKey
RBSLHDVFLWNYKI-UHFFFAOYSA-N
Compound name
2-(1,3-benzothiazol-2-ylmethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

241.05614 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.06342 150.3
[M+Na]+ 264.04536 161.6
[M-H]- 240.04886 156.6
[M+NH4]+ 259.08996 169.8
[M+K]+ 280.01930 155.8
[M+H-H2O]+ 224.05340 144.0
[M+HCOO]- 286.05434 169.5
[M+CH3COO]- 300.06999 163.9
[M+Na-2H]- 262.03081 155.0
[M]+ 241.05559 153.9
[M]- 241.05669 153.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe