CID 89873206

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

Structural Information

Molecular Formula
C4H5F2N3S
SMILES
CC(C1=NN=C(S1)N)(F)F
InChI
InChI=1S/C4H5F2N3S/c1-4(5,6)2-8-9-3(7)10-2/h1H3,(H2,7,9)
InChIKey
URDJRGDXIXBMLP-UHFFFAOYSA-N
Compound name
5-(1,1-difluoroethyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

165.01723 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.02451 127.3
[M+Na]+ 188.00645 137.7
[M-H]- 164.00995 126.2
[M+NH4]+ 183.05105 147.4
[M+K]+ 203.98039 135.3
[M+H-H2O]+ 148.01449 119.5
[M+HCOO]- 210.01543 143.1
[M+CH3COO]- 224.03108 176.6
[M+Na-2H]- 185.99190 130.3
[M]+ 165.01668 125.2
[M]- 165.01778 125.2
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