CID 130871769

7-fluoro-1h,2h,3h-pyrido[2,3-b][1,4]thiazine

Structural Information

Molecular Formula
C7H7FN2S
SMILES
C1CSC2=C(N1)C=C(C=N2)F
InChI
InChI=1S/C7H7FN2S/c8-5-3-6-7(10-4-5)11-2-1-9-6/h3-4,9H,1-2H2
InChIKey
MJFWVFVCCSEDAF-UHFFFAOYSA-N
Compound name
7-fluoro-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.0314 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.03868 128.8
[M+Na]+ 193.02062 137.5
[M-H]- 169.02412 127.8
[M+NH4]+ 188.06522 147.6
[M+K]+ 208.99456 133.3
[M+H-H2O]+ 153.02866 121.6
[M+HCOO]- 215.02960 140.9
[M+CH3COO]- 229.04525 140.8
[M+Na-2H]- 191.00607 134.5
[M]+ 170.03085 124.8
[M]- 170.03195 124.8
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.