CID 153381970

2-iodo-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

Structural Information

Molecular Formula
C7H3F3IN3
SMILES
C1=CN2C(=NC(=N2)I)C(=C1)C(F)(F)F
InChI
InChI=1S/C7H3F3IN3/c8-7(9,10)4-2-1-3-14-5(4)12-6(11)13-14/h1-3H
InChIKey
CAHWVUZITIHKRI-UHFFFAOYSA-N
Compound name
2-iodo-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.93237 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.93965 134.9
[M+Na]+ 335.92159 140.8
[M-H]- 311.92509 126.1
[M+NH4]+ 330.96619 148.5
[M+K]+ 351.89553 142.7
[M+H-H2O]+ 295.92963 122.2
[M+HCOO]- 357.93057 148.7
[M+CH3COO]- 371.94622 192.1
[M+Na-2H]- 333.90704 131.7
[M]+ 312.93182 131.3
[M]- 312.93292 131.3
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.