CID 737406

4,6-difluoro-1,3-benzothiazol-2-amine

Structural Information

Molecular Formula
C7H4F2N2S
SMILES
C1=C(C=C2C(=C1F)N=C(S2)N)F
InChI
InChI=1S/C7H4F2N2S/c8-3-1-4(9)6-5(2-3)12-7(10)11-6/h1-2H,(H2,10,11)
InChIKey
DDKKXSCVPKDRRS-UHFFFAOYSA-N
Compound name
4,6-difluoro-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

181
Patents

186.00633 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.013606 128.4
[M+Na]+ 208.995548 141.8
[M-H]- 184.999054 130.4
[M+NH4]+ 204.040153 150.8
[M+K]+ 224.969488 137.2
[M+H-H2O]+ 169.003590 121.5
[M+HCOO]- 231.004531 147.7
[M+CH3COO]- 245.020181 143.2
[M+Na-2H]- 206.980996 132.5
[M]+ 186.00578142 129.1
[M]- 186.00687858 129.1
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