CID 510590

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

Structural Information

Molecular Formula
C14H12FNO2S
SMILES
CN1C(C2=CC=CC=C2S1(=O)=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C14H12FNO2S/c1-16-14(10-6-8-11(15)9-7-10)12-4-2-3-5-13(12)19(16,17)18/h2-9,14H,1H3
InChIKey
BMANSUOLSSJGDQ-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-2-methyl-3H-1,2-benzothiazole 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.05728 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.06456 157.0
[M+Na]+ 300.04650 169.6
[M-H]- 276.05000 163.5
[M+NH4]+ 295.09110 177.9
[M+K]+ 316.02044 164.3
[M+H-H2O]+ 260.05454 150.1
[M+HCOO]- 322.05548 174.2
[M+CH3COO]- 336.07113 170.5
[M+Na-2H]- 298.03195 159.7
[M]+ 277.05673 159.9
[M]- 277.05783 159.9
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.