CID 2146069

1-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)piperazine

Structural Information

Molecular Formula
C7H9F3N4S
SMILES
C1CN(CCN1)C2=NN=C(S2)C(F)(F)F
InChI
InChI=1S/C7H9F3N4S/c8-7(9,10)5-12-13-6(15-5)14-3-1-11-2-4-14/h11H,1-4H2
InChIKey
HCHPSOYHPOLYCC-UHFFFAOYSA-N
Compound name
2-piperazin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

238.05 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.05728 146.6
[M+Na]+ 261.03922 154.9
[M-H]- 237.04272 142.7
[M+NH4]+ 256.08382 160.4
[M+K]+ 277.01316 150.6
[M+H-H2O]+ 221.04726 136.0
[M+HCOO]- 283.04820 153.4
[M+CH3COO]- 297.06385 156.1
[M+Na-2H]- 259.02467 146.9
[M]+ 238.04945 139.0
[M]- 238.05055 139.0
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