CID 86678194

1-(2-bromopyridin-4-yl)-2,2,2-trifluoroethan-1-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
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 145.4
[M+Na]+ 277.93987 157.5
[M-H]- 253.94337 145.8
[M+NH4]+ 272.98447 164.2
[M+K]+ 293.91381 145.9
[M+H-H2O]+ 237.94791 143.3
[M+HCOO]- 299.94885 160.1
[M+CH3COO]- 313.96450 187.4
[M+Na-2H]- 275.92532 151.7
[M]+ 254.95010 159.0
[M]- 254.95120 159.0
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