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]+ 201.02925 133.6
[M+Na]+ 223.01119 145.3
[M-H]- 199.01469 135.1
[M+NH4]+ 218.05579 155.1
[M+K]+ 238.98513 141.0
[M+H-H2O]+ 183.01923 126.3
[M+HCOO]- 245.02017 151.5
[M+CH3COO]- 259.03582 147.4
[M+Na-2H]- 220.99664 136.7
[M]+ 200.02142 133.6
[M]- 200.02252 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.