CID 71607294

(5-bromo-2-(trifluoromethyl)pyridin-4-yl)methanol

Structural Information

Molecular Formula
C7H5BrF3NO
SMILES
C1=C(C(=CN=C1C(F)(F)F)Br)CO
InChI
InChI=1S/C7H5BrF3NO/c8-5-2-12-6(7(9,10)11)1-4(5)3-13/h1-2,13H,3H2
InChIKey
ZKIRNZJSGHLPOH-UHFFFAOYSA-N
Compound name
[5-bromo-2-(trifluoromethyl)pyridin-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

254.95065 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.95793 144.9
[M+Na]+ 277.93987 158.1
[M-H]- 253.94337 145.5
[M+NH4]+ 272.98447 164.0
[M+K]+ 293.91381 146.1
[M+H-H2O]+ 237.94791 142.8
[M+HCOO]- 299.94885 160.5
[M+CH3COO]- 313.96450 187.7
[M+Na-2H]- 275.92532 151.7
[M]+ 254.95010 159.4
[M]- 254.95120 159.4
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