CID 66201315

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

Structural Information

Molecular Formula
C8H6F2N2S
SMILES
C1=CC2=C(C=C1N)SC(=N2)C(F)F
InChI
InChI=1S/C8H6F2N2S/c9-7(10)8-12-5-2-1-4(11)3-6(5)13-8/h1-3,7H,11H2
InChIKey
FOFMNMOYBHDIDQ-UHFFFAOYSA-N
Compound name
2-(difluoromethyl)-1,3-benzothiazol-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.02197 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.029246 133.6
[M+Na]+ 223.011188 145.3
[M-H]- 199.014694 135.1
[M+NH4]+ 218.055793 155.1
[M+K]+ 238.985128 141.0
[M+H-H2O]+ 183.019230 126.3
[M+HCOO]- 245.020171 151.5
[M+CH3COO]- 259.035821 147.4
[M+Na-2H]- 220.996636 136.7
[M]+ 200.02142142 133.6
[M]- 200.02251858 133.6
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.