CID 383502

Nsc671887

Structural Information

Molecular Formula
C14H6F4N2S
SMILES
C1C2=C(C(=C(C(=C2F)F)F)F)N3C4=CC=CC=C4N=C3S1
InChI
InChI=1S/C14H6F4N2S/c15-9-6-5-21-14-19-7-3-1-2-4-8(7)20(14)13(6)12(18)11(17)10(9)16/h1-4H,5H2
InChIKey
KVSQKCGNXBDOJA-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrafluoro-5H-benzimidazolo[1,2-a][3,1]benzothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.01877 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.02605 160.5
[M+Na]+ 333.00799 176.1
[M-H]- 309.01149 160.8
[M+NH4]+ 328.05259 179.3
[M+K]+ 348.98193 168.2
[M+H-H2O]+ 293.01603 150.5
[M+HCOO]- 355.01697 171.9
[M+CH3COO]- 369.03262 172.6
[M+Na-2H]- 330.99344 163.0
[M]+ 310.01822 161.5
[M]- 310.01932 161.5
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.