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

14
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

literature stripe

Patent stripe

patents stripe