CID 116984679

1893038-96-4

Structural Information

Molecular Formula
C8H8BrF3N2
SMILES
C1CCN2C(=C(N=C2C(F)(F)F)Br)C1
InChI
InChI=1S/C8H8BrF3N2/c9-6-5-3-1-2-4-14(5)7(13-6)8(10,11)12/h1-4H2
InChIKey
NXCNRSZASQUUOD-UHFFFAOYSA-N
Compound name
1-bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.9823 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.98958 153.7
[M+Na]+ 290.97152 166.5
[M-H]- 266.97502 154.8
[M+NH4]+ 286.01612 174.4
[M+K]+ 306.94546 155.0
[M+H-H2O]+ 250.97956 151.4
[M+HCOO]- 312.98050 167.1
[M+CH3COO]- 326.99615 191.9
[M+Na-2H]- 288.95697 158.9
[M]+ 267.98175 166.6
[M]- 267.98285 166.6
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.