CID 19585898

6-(difluoromethoxy)-1,3-benzothiazol-2-amine

Structural Information

Molecular Formula
C8H6F2N2OS
SMILES
C1=CC2=C(C=C1OC(F)F)SC(=N2)N
InChI
InChI=1S/C8H6F2N2OS/c9-7(10)13-4-1-2-5-6(3-4)14-8(11)12-5/h1-3,7H,(H2,11,12)
InChIKey
PUXOOQNLQPZQFB-UHFFFAOYSA-N
Compound name
6-(difluoromethoxy)-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

39
Patents

216.01689 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.02417 137.0
[M+Na]+ 239.00611 148.5
[M-H]- 215.00961 138.4
[M+NH4]+ 234.05071 157.7
[M+K]+ 254.98005 144.7
[M+H-H2O]+ 199.01415 129.5
[M+HCOO]- 261.01509 155.1
[M+CH3COO]- 275.03074 186.6
[M+Na-2H]- 236.99156 140.2
[M]+ 216.01634 138.4
[M]- 216.01744 138.4
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