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

0
Patents

171.97183 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.97911 122.4
[M+Na]+ 194.96105 134.3
[M-H]- 170.96455 119.4
[M+NH4]+ 190.00565 142.8
[M+K]+ 210.93499 132.0
[M+H-H2O]+ 154.96909 113.4
[M+HCOO]- 216.97003 136.2
[M+CH3COO]- 230.98568 174.7
[M+Na-2H]- 192.94650 125.3
[M]+ 171.97128 119.4
[M]- 171.97238 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

No patent data available for this compound.