CID 80694662

5-(chloromethyl)-1-(2-fluoroethyl)-1h-1,2,4-triazole hydrochloride

Structural Information

Molecular Formula
C5H7ClFN3
SMILES
C1=NN(C(=N1)CCl)CCF
InChI
InChI=1S/C5H7ClFN3/c6-3-5-8-4-9-10(5)2-1-7/h4H,1-3H2
InChIKey
ZDCZPKKWJCSSBM-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-1-(2-fluoroethyl)-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.03125 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.03853 128.1
[M+Na]+ 186.02047 138.7
[M-H]- 162.02397 126.2
[M+NH4]+ 181.06507 147.4
[M+K]+ 201.99441 135.6
[M+H-H2O]+ 146.02851 119.8
[M+HCOO]- 208.02945 144.8
[M+CH3COO]- 222.04510 175.4
[M+Na-2H]- 184.00592 134.0
[M]+ 163.03070 129.5
[M]- 163.03180 129.5
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.