CID 591635

33468-67-6

Structural Information

Molecular Formula
C5H5F3N2
SMILES
CC1=NC=C(N1)C(F)(F)F
InChI
InChI=1S/C5H5F3N2/c1-3-9-2-4(10-3)5(6,7)8/h2H,1H3,(H,9,10)
InChIKey
UTUSYSDVLOWRJA-UHFFFAOYSA-N
Compound name
2-methyl-5-(trifluoromethyl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

278
Patents

150.04048 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.04776 124.3
[M+Na]+ 173.02970 134.5
[M-H]- 149.03320 120.6
[M+NH4]+ 168.07430 144.2
[M+K]+ 189.00364 131.9
[M+H-H2O]+ 133.03774 116.0
[M+HCOO]- 195.03868 142.0
[M+CH3COO]- 209.05433 171.2
[M+Na-2H]- 171.01515 129.9
[M]+ 150.03993 118.8
[M]- 150.04103 118.8
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

patents stripe