CID 63827224

5-(chloromethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-1h-1,2,3,4-tetrazole

Structural Information

Molecular Formula
C6H8ClF3N4O
SMILES
C(COCC(F)(F)F)N1C(=NN=N1)CCl
InChI
InChI=1S/C6H8ClF3N4O/c7-3-5-11-12-13-14(5)1-2-15-4-6(8,9)10/h1-4H2
InChIKey
SDMDSLAXDKVLGG-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.03387 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.04115 144.5
[M+Na]+ 267.02309 155.0
[M-H]- 243.02659 138.8
[M+NH4]+ 262.06769 159.2
[M+K]+ 282.99703 151.5
[M+H-H2O]+ 227.03113 133.7
[M+HCOO]- 289.03207 156.0
[M+CH3COO]- 303.04772 188.4
[M+Na-2H]- 265.00854 149.4
[M]+ 244.03332 145.3
[M]- 244.03442 145.3
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.