CID 5272165

2-benzothiazolemethanol, 5-chloro-a-phenyl-

Structural Information

Molecular Formula
C14H10ClNOS
SMILES
C1=CC=C(C=C1)C(C2=NC3=C(S2)C=CC(=C3)Cl)O
InChI
InChI=1S/C14H10ClNOS/c15-10-6-7-12-11(8-10)16-14(18-12)13(17)9-4-2-1-3-5-9/h1-8,13,17H
InChIKey
NMZNYBQWQVTRDX-UHFFFAOYSA-N
Compound name
(5-chloro-1,3-benzothiazol-2-yl)-phenylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

275.01715 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.02443 157.0
[M+Na]+ 298.00637 168.6
[M-H]- 274.00987 163.2
[M+NH4]+ 293.05097 175.9
[M+K]+ 313.98031 161.8
[M+H-H2O]+ 258.01441 151.3
[M+HCOO]- 320.01535 170.4
[M+CH3COO]- 334.03100 170.0
[M+Na-2H]- 295.99182 160.2
[M]+ 275.01660 162.1
[M]- 275.01770 162.1
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.