CID 21819089

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

Structural Information

Molecular Formula
C3H3F2N3S
SMILES
C1(=NN=C(S1)N)C(F)F
InChI
InChI=1S/C3H3F2N3S/c4-1(5)2-7-8-3(6)9-2/h1H,(H2,6,8)
InChIKey
NBGMELMIAOKZSD-UHFFFAOYSA-N
Compound name
5-(difluoromethyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

151.00157 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.00885 121.4
[M+Na]+ 173.99079 131.6
[M-H]- 149.99429 120.3
[M+NH4]+ 169.03539 141.9
[M+K]+ 189.96473 129.6
[M+H-H2O]+ 133.99883 113.3
[M+HCOO]- 195.99977 138.1
[M+CH3COO]- 210.01542 174.1
[M+Na-2H]- 171.97624 123.2
[M]+ 151.00102 119.0
[M]- 151.00212 119.0
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