CID 105429510

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

Structural Information

Molecular Formula
C3H3F2N3S
SMILES
C1(=NSC(=N1)N)C(F)F
InChI
InChI=1S/C3H3F2N3S/c4-1(5)2-7-3(6)9-8-2/h1H,(H2,6,7,8)
InChIKey
UGCOYCRCLYMZCP-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)-1,2,4-thiadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.00157 Da
Monoisotopic Mass

1.1
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.