CID 139959853

Mhzqqwbjsimifc-uhfffaoysa-n

Structural Information

Molecular Formula
C3F4N2S
SMILES
C1(=NSC(=N1)F)C(F)(F)F
InChI
InChI=1S/C3F4N2S/c4-2-8-1(9-10-2)3(5,6)7
InChIKey
MHZQQWBJSIMIFC-UHFFFAOYSA-N
Compound name
5-fluoro-3-(trifluoromethyl)-1,2,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

171.97183 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.979106 122.4
[M+Na]+ 194.961048 134.3
[M-H]- 170.964554 119.4
[M+NH4]+ 190.005653 142.8
[M+K]+ 210.934988 132.0
[M+H-H2O]+ 154.969090 113.4
[M+HCOO]- 216.970031 136.2
[M+CH3COO]- 230.985681 174.7
[M+Na-2H]- 192.946496 125.3
[M]+ 171.97128142 119.4
[M]- 171.97237858 119.4
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

patents stripe