CID 510605

3-(2,3-dimethyl-1,1-dioxo-1,2-benzothiazol-3-yl)phenol

Structural Information

Molecular Formula
C15H15NO3S
SMILES
CC1(C2=CC=CC=C2S(=O)(=O)N1C)C3=CC(=CC=C3)O
InChI
InChI=1S/C15H15NO3S/c1-15(11-6-5-7-12(17)10-11)13-8-3-4-9-14(13)20(18,19)16(15)2/h3-10,17H,1-2H3
InChIKey
ZCZWSAHDPNLIAU-UHFFFAOYSA-N
Compound name
3-(2,3-dimethyl-1,1-dioxo-1,2-benzothiazol-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.07727 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.08455 161.1
[M+Na]+ 312.06649 173.5
[M-H]- 288.06999 167.7
[M+NH4]+ 307.11109 182.8
[M+K]+ 328.04043 168.4
[M+H-H2O]+ 272.07453 155.8
[M+HCOO]- 334.07547 177.7
[M+CH3COO]- 348.09112 174.3
[M+Na-2H]- 310.05194 165.4
[M]+ 289.07672 165.5
[M]- 289.07782 165.5
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.