CID 383498

Nsc671883

Structural Information

Molecular Formula
C14H4F4N2OS
SMILES
C1=CC=C2C(=C1)N=C3N2C(=O)C4=C(C(=C(C(=C4S3)F)F)F)F
InChI
InChI=1S/C14H4F4N2OS/c15-8-7-12(11(18)10(17)9(8)16)22-14-19-5-3-1-2-4-6(5)20(14)13(7)21/h1-4H
InChIKey
IIUYXSVKMWXCSD-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrafluorobenzimidazolo[2,1-b][1,3]benzothiazin-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.99805 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.00533 163.2
[M+Na]+ 346.98727 181.6
[M-H]- 322.99077 164.7
[M+NH4]+ 342.03187 181.7
[M+K]+ 362.96121 173.2
[M+H-H2O]+ 306.99531 153.3
[M+HCOO]- 368.99625 177.5
[M+CH3COO]- 383.01190 176.3
[M+Na-2H]- 344.97272 166.8
[M]+ 323.99750 168.1
[M]- 323.99860 168.1
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.