CID 10374971

2-(trifluoromethyl)-4-pyridinemethanol

Structural Information

Molecular Formula
C7H6F3NO
SMILES
C1=CN=C(C=C1CO)C(F)(F)F
InChI
InChI=1S/C7H6F3NO/c8-7(9,10)6-3-5(4-12)1-2-11-6/h1-3,12H,4H2
InChIKey
UOQWDROTEICSEX-UHFFFAOYSA-N
Compound name
[2-(trifluoromethyl)pyridin-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

177.04015 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.04743 131.0
[M+Na]+ 200.02937 140.5
[M-H]- 176.03287 128.5
[M+NH4]+ 195.07397 149.4
[M+K]+ 216.00331 137.6
[M+H-H2O]+ 160.03741 122.9
[M+HCOO]- 222.03835 148.9
[M+CH3COO]- 236.05400 176.4
[M+Na-2H]- 198.01482 138.0
[M]+ 177.03960 126.5
[M]- 177.04070 126.5
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