CID 59570372

2,2,2-trifluoro-1-(pyridin-4-yl)ethan-1-ol

Structural Information

Molecular Formula
C7H6F3NO
SMILES
C1=CN=CC=C1C(C(F)(F)F)O
InChI
InChI=1S/C7H6F3NO/c8-7(9,10)6(12)5-1-3-11-4-2-5/h1-4,6,12H
InChIKey
HWFCWJQZKAGODL-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-pyridin-4-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

177.04015 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.04743 137.4
[M+Na]+ 200.02937 146.2
[M+NH4]+ 195.07397 142.8
[M+K]+ 216.00331 142.0
[M-H]- 176.03287 133.5
[M+Na-2H]- 198.01482 141.8
[M]+ 177.03960 137.2
[M]- 177.04070 137.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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