CID 135609553

56048-53-4

Structural Information

Molecular Formula
C14H11NOS
SMILES
CC1=C(C(=CC=C1)C2=NC3=CC=CC=C3S2)O
InChI
InChI=1S/C14H11NOS/c1-9-5-4-6-10(13(9)16)14-15-11-7-2-3-8-12(11)17-14/h2-8,16H,1H3
InChIKey
NABPZMVNQIEOIO-UHFFFAOYSA-N
Compound name
2-(1,3-benzothiazol-2-yl)-6-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

16
Patents

241.05614 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.06342 150.4
[M+Na]+ 264.04536 162.6
[M-H]- 240.04886 157.1
[M+NH4]+ 259.08996 170.2
[M+K]+ 280.01930 156.8
[M+H-H2O]+ 224.05340 144.3
[M+HCOO]- 286.05434 169.5
[M+CH3COO]- 300.06999 164.3
[M+Na-2H]- 262.03081 154.4
[M]+ 241.05559 154.5
[M]- 241.05669 154.5
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.