CID 510608

3-(4-fluorophenyl)-2,5-dimethyl-3h-1,2-benzothiazole 1,1-dioxide

Structural Information

Molecular Formula
C15H14FNO2S
SMILES
CC1=CC2=C(C=C1)S(=O)(=O)N(C2C3=CC=C(C=C3)F)C
InChI
InChI=1S/C15H14FNO2S/c1-10-3-8-14-13(9-10)15(17(2)20(14,18)19)11-4-6-12(16)7-5-11/h3-9,15H,1-2H3
InChIKey
RLDGQSAUYMVQQU-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-2,5-dimethyl-3H-1,2-benzothiazole 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.07294 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.08022 160.8
[M+Na]+ 314.06216 173.8
[M-H]- 290.06566 167.4
[M+NH4]+ 309.10676 181.4
[M+K]+ 330.03610 168.2
[M+H-H2O]+ 274.07020 154.0
[M+HCOO]- 336.07114 177.6
[M+CH3COO]- 350.08679 174.2
[M+Na-2H]- 312.04761 162.4
[M]+ 291.07239 164.4
[M]- 291.07349 164.4
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.