CID 130504376

1849410-15-6

Structural Information

Molecular Formula
C4H6FN3S
SMILES
C1=NNC(=S)N1CCF
InChI
InChI=1S/C4H6FN3S/c5-1-2-8-3-6-7-4(8)9/h3H,1-2H2,(H,7,9)
InChIKey
LKNDWVPOQDHXSM-UHFFFAOYSA-N
Compound name
4-(2-fluoroethyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.02664 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.03392 124.1
[M+Na]+ 170.01586 135.2
[M-H]- 146.01936 121.9
[M+NH4]+ 165.06046 143.6
[M+K]+ 185.98980 131.8
[M+H-H2O]+ 130.02390 116.8
[M+HCOO]- 192.02484 139.6
[M+CH3COO]- 206.04049 168.9
[M+Na-2H]- 168.00131 126.8
[M]+ 147.02609 123.5
[M]- 147.02719 123.5
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

No patent data available for this compound.