CID 53418307

5-(fluoromethyl)-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C3H4FN3S
SMILES
C(C1=NN=C(S1)N)F
InChI
InChI=1S/C3H4FN3S/c4-1-2-6-7-3(5)8-2/h1H2,(H2,5,7)
InChIKey
FNEWTERNBPPUQE-UHFFFAOYSA-N
Compound name
5-(fluoromethyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

133.011 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.01828 119.2
[M+Na]+ 156.00022 129.8
[M-H]- 132.00372 119.4
[M+NH4]+ 151.04482 140.6
[M+K]+ 171.97416 127.7
[M+H-H2O]+ 116.00826 112.0
[M+HCOO]- 178.00920 138.0
[M+CH3COO]- 192.02485 170.5
[M+Na-2H]- 153.98567 122.6
[M]+ 133.01045 118.5
[M]- 133.01155 118.5
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