CID 57771028

1227502-86-4

Structural Information

Molecular Formula
C7H8FN
SMILES
CC1=C(N=C(C=C1)F)C
InChI
InChI=1S/C7H8FN/c1-5-3-4-7(8)9-6(5)2/h3-4H,1-2H3
InChIKey
YEVOPPVEOBXERE-UHFFFAOYSA-N
Compound name
6-fluoro-2,3-dimethylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

125.06408 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.071356 120.2
[M+Na]+ 148.053298 130.5
[M-H]- 124.056804 122.0
[M+NH4]+ 143.097903 141.9
[M+K]+ 164.027238 128.8
[M+H-H2O]+ 108.061340 113.8
[M+HCOO]- 170.062281 143.2
[M+CH3COO]- 184.077931 172.9
[M+Na-2H]- 146.038746 127.8
[M]+ 125.06353142 119.6
[M]- 125.06462858 119.6
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

patents stripe