CID 139016621

2344678-60-8

Structural Information

Molecular Formula
C5H4BrF4N3
SMILES
CN1C(=CN=N1)C(C(F)(F)Br)(F)F
InChI
InChI=1S/C5H4BrF4N3/c1-13-3(2-11-12-13)4(7,8)5(6,9)10/h2H,1H3
InChIKey
XLNHOOPOCNXPPF-UHFFFAOYSA-N
Compound name
5-(2-bromo-1,1,2,2-tetrafluoroethyl)-1-methyltriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.95248 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.95976 146.4
[M+Na]+ 283.94170 160.6
[M-H]- 259.94520 145.0
[M+NH4]+ 278.98630 165.0
[M+K]+ 299.91564 149.6
[M+H-H2O]+ 243.94974 143.0
[M+HCOO]- 305.95068 159.8
[M+CH3COO]- 319.96633 190.7
[M+Na-2H]- 281.92715 153.3
[M]+ 260.95193 160.3
[M]- 260.95303 160.3
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.