CID 5140912

2-fluoro-3,3-dimethyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide

Structural Information

Molecular Formula
C9H10FNO2S
SMILES
CC1(C2=CC=CC=C2S(=O)(=O)N1F)C
InChI
InChI=1S/C9H10FNO2S/c1-9(2)7-5-3-4-6-8(7)14(12,13)11(9)10/h3-6H,1-2H3
InChIKey
VMDJWSACUFRJRE-UHFFFAOYSA-N
Compound name
2-fluoro-3,3-dimethyl-1,2-benzothiazole 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

176
Patents

215.04163 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.048906 136.9
[M+Na]+ 238.030848 150.1
[M-H]- 214.034354 140.3
[M+NH4]+ 233.075453 162.4
[M+K]+ 254.004788 146.8
[M+H-H2O]+ 198.038890 132.3
[M+HCOO]- 260.039831 154.1
[M+CH3COO]- 274.055481 183.4
[M+Na-2H]- 236.016296 142.2
[M]+ 215.04108142 140.5
[M]- 215.04217858 140.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe