CID 145874219

5,7-difluoro-6-methoxy-1,3-benzothiazol-2-amine

Structural Information

Molecular Formula
C8H6F2N2OS
SMILES
COC1=C(C=C2C(=C1F)SC(=N2)N)F
InChI
InChI=1S/C8H6F2N2OS/c1-13-6-3(9)2-4-7(5(6)10)14-8(11)12-4/h2H,1H3,(H2,11,12)
InChIKey
GSQPURUKJIJILN-UHFFFAOYSA-N
Compound name
5,7-difluoro-6-methoxy-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.01689 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.02417 136.7
[M+Na]+ 239.00611 150.2
[M-H]- 215.00961 138.8
[M+NH4]+ 234.05071 158.1
[M+K]+ 254.98005 145.9
[M+H-H2O]+ 199.01415 129.6
[M+HCOO]- 261.01509 155.7
[M+CH3COO]- 275.03074 188.1
[M+Na-2H]- 236.99156 139.6
[M]+ 216.01634 139.5
[M]- 216.01744 139.5
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.