CID 71301986

1-(6-bromopyridin-3-yl)-2,2,2-trifluoroethanol

Structural Information

Molecular Formula
C7H5BrF3NO
SMILES
C1=CC(=NC=C1C(C(F)(F)F)O)Br
InChI
InChI=1S/C7H5BrF3NO/c8-5-2-1-4(3-12-5)6(13)7(9,10)11/h1-3,6,13H
InChIKey
SCJWPNCLZBUMRD-UHFFFAOYSA-N
Compound name
1-(6-bromopyridin-3-yl)-2,2,2-trifluoroethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

254.95065 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.95793 153.0
[M+Na]+ 277.93987 153.8
[M+NH4]+ 272.98447 155.1
[M+K]+ 293.91381 154.6
[M-H]- 253.94337 148.3
[M+Na-2H]- 275.92532 153.8
[M]+ 254.95010 150.4
[M]- 254.95120 150.4
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