CID 13279589

5-chloro-3-(trifluoromethyl)-1,2,4-thiadiazole

Structural Information

Molecular Formula
C3ClF3N2S
SMILES
C1(=NSC(=N1)Cl)C(F)(F)F
InChI
InChI=1S/C3ClF3N2S/c4-2-8-1(9-10-2)3(5,6)7
InChIKey
MCZJFFUPCJJZSD-UHFFFAOYSA-N
Compound name
5-chloro-3-(trifluoromethyl)-1,2,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

148
Patents

187.94228 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.94956 125.5
[M+Na]+ 210.93150 137.9
[M-H]- 186.93500 123.7
[M+NH4]+ 205.97610 146.1
[M+K]+ 226.90544 134.3
[M+H-H2O]+ 170.93954 117.9
[M+HCOO]- 232.94048 135.6
[M+CH3COO]- 246.95613 175.6
[M+Na-2H]- 208.91695 128.6
[M]+ 187.94173 125.3
[M]- 187.94283 125.3
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