CID 165753031

[4-bromo-1-(trifluoromethyl)-1h-imidazol-2-yl]methanol

Structural Information

Molecular Formula
C5H4BrF3N2O
SMILES
C1=C(N=C(N1C(F)(F)F)CO)Br
InChI
InChI=1S/C5H4BrF3N2O/c6-3-1-11(5(7,8)9)4(2-12)10-3/h1,12H,2H2
InChIKey
PINGFQOBIBBBBE-UHFFFAOYSA-N
Compound name
[4-bromo-1-(trifluoromethyl)imidazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.9459 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.95318 141.9
[M+Na]+ 266.93512 156.0
[M-H]- 242.93862 141.6
[M+NH4]+ 261.97972 162.0
[M+K]+ 282.90906 144.7
[M+H-H2O]+ 226.94316 139.7
[M+HCOO]- 288.94410 157.8
[M+CH3COO]- 302.95975 184.8
[M+Na-2H]- 264.92057 147.6
[M]+ 243.94535 156.9
[M]- 243.94645 156.9
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.