CID 20587968

1108725-56-9

Structural Information

Molecular Formula
C8H10FN
SMILES
CC(C)C1=CN=C(C=C1)F
InChI
InChI=1S/C8H10FN/c1-6(2)7-3-4-8(9)10-5-7/h3-6H,1-2H3
InChIKey
KYUDTBPIZLFHNU-UHFFFAOYSA-N
Compound name
2-fluoro-5-propan-2-ylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

269
Patents

139.07973 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.087006 125.7
[M+Na]+ 162.068948 134.3
[M-H]- 138.072454 127.0
[M+NH4]+ 157.113553 146.4
[M+K]+ 178.042888 132.7
[M+H-H2O]+ 122.076990 118.9
[M+HCOO]- 184.077931 147.3
[M+CH3COO]- 198.093581 175.7
[M+Na-2H]- 160.054396 132.2
[M]+ 139.07918142 124.4
[M]- 139.08027858 124.4
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