CID 5272167

2-[(5-chloro-1,3-benzothiazol-2-yl)methyl]phenol

Structural Information

Molecular Formula
C14H10ClNOS
SMILES
C1=CC=C(C(=C1)CC2=NC3=C(S2)C=CC(=C3)Cl)O
InChI
InChI=1S/C14H10ClNOS/c15-10-5-6-13-11(8-10)16-14(18-13)7-9-3-1-2-4-12(9)17/h1-6,8,17H,7H2
InChIKey
RANSTLYYIJRHAG-UHFFFAOYSA-N
Compound name
2-[(5-chloro-1,3-benzothiazol-2-yl)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

275.01715 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.02443 157.1
[M+Na]+ 298.00637 169.9
[M-H]- 274.00987 163.6
[M+NH4]+ 293.05097 176.4
[M+K]+ 313.98031 162.7
[M+H-H2O]+ 258.01441 151.5
[M+HCOO]- 320.01535 171.6
[M+CH3COO]- 334.03100 170.6
[M+Na-2H]- 295.99182 160.6
[M]+ 275.01660 163.2
[M]- 275.01770 163.2
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.