CID 24903629

(2-(trifluoromethyl)pyrimidin-5-yl)methanol

Structural Information

Molecular Formula
C6H5F3N2O
SMILES
C1=C(C=NC(=N1)C(F)(F)F)CO
InChI
InChI=1S/C6H5F3N2O/c7-6(8,9)5-10-1-4(3-12)2-11-5/h1-2,12H,3H2
InChIKey
OXTLPDJYINUPDW-UHFFFAOYSA-N
Compound name
[2-(trifluoromethyl)pyrimidin-5-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

178.0354 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.04268 131.4
[M+Na]+ 201.02462 141.3
[M-H]- 177.02812 127.6
[M+NH4]+ 196.06922 148.4
[M+K]+ 216.99856 138.5
[M+H-H2O]+ 161.03266 122.5
[M+HCOO]- 223.03360 148.3
[M+CH3COO]- 237.04925 176.1
[M+Na-2H]- 199.01007 138.9
[M]+ 178.03485 127.1
[M]- 178.03595 127.1
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