CID 2775312

2-methoxy-5-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C7H6F3NO
SMILES
COC1=NC=C(C=C1)C(F)(F)F
InChI
InChI=1S/C7H6F3NO/c1-12-6-3-2-5(4-11-6)7(8,9)10/h2-4H,1H3
InChIKey
KNIGTEGBOBDGKP-UHFFFAOYSA-N
Compound name
2-methoxy-5-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

222
Patents

177.04015 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.04743 130.4
[M+Na]+ 200.02937 140.3
[M-H]- 176.03287 129.3
[M+NH4]+ 195.07397 149.5
[M+K]+ 216.00331 138.4
[M+H-H2O]+ 160.03741 122.0
[M+HCOO]- 222.03835 149.8
[M+CH3COO]- 236.05400 179.1
[M+Na-2H]- 198.01482 137.9
[M]+ 177.03960 127.8
[M]- 177.04070 127.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe