CID 257798

Benzothiazol-2-yl-phenyl-methanol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

10
References

21
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 150.7
[M+Na]+ 264.04536 160.7
[M-H]- 240.04886 156.7
[M+NH4]+ 259.08996 169.8
[M+K]+ 280.01930 155.5
[M+H-H2O]+ 224.05340 144.2
[M+HCOO]- 286.05434 168.8
[M+CH3COO]- 300.06999 163.8
[M+Na-2H]- 262.03081 155.0
[M]+ 241.05559 153.3
[M]- 241.05669 153.3
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