CID 240979

720-49-0

Structural Information

Molecular Formula
C8H7F3N2O2S
SMILES
C1NC2=C(C=CC(=C2)C(F)(F)F)S(=O)(=O)N1
InChI
InChI=1S/C8H7F3N2O2S/c9-8(10,11)5-1-2-7-6(3-5)12-4-13-16(7,14)15/h1-3,12-13H,4H2
InChIKey
DPJZVOYJEZTZKG-UHFFFAOYSA-N
Compound name
6-(trifluoromethyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.01804 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.02532 146.7
[M+Na]+ 275.00726 156.9
[M-H]- 251.01076 142.1
[M+NH4]+ 270.05186 163.3
[M+K]+ 290.98120 151.1
[M+H-H2O]+ 235.01530 138.8
[M+HCOO]- 297.01624 153.8
[M+CH3COO]- 311.03189 182.9
[M+Na-2H]- 272.99271 151.9
[M]+ 252.01749 140.7
[M]- 252.01859 140.7
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.