CID 165692054

4-(2,2-difluorocyclopropyl)-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C6H6F2N2S
SMILES
C1C(C1(F)F)C2=CSC(=N2)N
InChI
InChI=1S/C6H6F2N2S/c7-6(8)1-3(6)4-2-11-5(9)10-4/h2-3H,1H2,(H2,9,10)
InChIKey
MZFWWKWMAVXFBD-UHFFFAOYSA-N
Compound name
4-(2,2-difluorocyclopropyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.02197 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.02925 122.4
[M+Na]+ 199.01119 134.6
[M-H]- 175.01469 126.6
[M+NH4]+ 194.05579 140.4
[M+K]+ 214.98513 131.0
[M+H-H2O]+ 159.01923 115.5
[M+HCOO]- 221.02017 140.7
[M+CH3COO]- 235.03582 136.4
[M+Na-2H]- 196.99664 125.7
[M]+ 176.02142 123.3
[M]- 176.02252 123.3
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.