CID 23236867

2,3,5-trifluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methoxypyridine

Structural Information

Molecular Formula
C9H3F10NO
SMILES
COC1=NC(=C(C(=C1F)C(C(F)(F)F)(C(F)(F)F)F)F)F
InChI
InChI=1S/C9H3F10NO/c1-21-6-4(11)2(3(10)5(12)20-6)7(13,8(14,15)16)9(17,18)19/h1H3
InChIKey
RRBUNXWAKOHOQD-UHFFFAOYSA-N
Compound name
2,3,5-trifluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methoxypyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

331.0055 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.01278 161.3
[M+Na]+ 353.99472 174.1
[M-H]- 329.99822 152.6
[M+NH4]+ 349.03932 174.2
[M+K]+ 369.96866 169.6
[M+H-H2O]+ 314.00276 147.7
[M+HCOO]- 376.00370 168.9
[M+CH3COO]- 390.01935 209.5
[M+Na-2H]- 351.98017 162.9
[M]+ 331.00495 149.6
[M]- 331.00605 149.6
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

No patent data available for this compound.