CID 69760

723-57-9

Structural Information

Molecular Formula
C9H7F3N2O2S
SMILES
CC1=NS(=O)(=O)C2=C(N1)C=C(C=C2)C(F)(F)F
InChI
InChI=1S/C9H7F3N2O2S/c1-5-13-7-4-6(9(10,11)12)2-3-8(7)17(15,16)14-5/h2-4H,1H3,(H,13,14)
InChIKey
YLOIUIYEPKSXIK-UHFFFAOYSA-N
Compound name
3-methyl-6-(trifluoromethyl)-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

264.01804 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.02532 149.2
[M+Na]+ 287.00726 161.3
[M-H]- 263.01076 146.6
[M+NH4]+ 282.05186 166.5
[M+K]+ 302.98120 156.0
[M+H-H2O]+ 247.01530 141.0
[M+HCOO]- 309.01624 158.9
[M+CH3COO]- 323.03189 189.2
[M+Na-2H]- 284.99271 154.6
[M]+ 264.01749 147.1
[M]- 264.01859 147.1
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