CID 58691569

2,3-difluoro-4-methylpyridine

Structural Information

Molecular Formula
C6H5F2N
SMILES
CC1=C(C(=NC=C1)F)F
InChI
InChI=1S/C6H5F2N/c1-4-2-3-9-6(8)5(4)7/h2-3H,1H3
InChIKey
IWENMMUGBHGGDI-UHFFFAOYSA-N
Compound name
2,3-difluoro-4-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

129.039 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.04628 118.3
[M+Na]+ 152.02822 129.0
[M-H]- 128.03172 118.8
[M+NH4]+ 147.07282 139.6
[M+K]+ 168.00216 127.0
[M+H-H2O]+ 112.03626 111.0
[M+HCOO]- 174.03720 140.5
[M+CH3COO]- 188.05285 172.7
[M+Na-2H]- 150.01367 125.8
[M]+ 129.03845 116.1
[M]- 129.03955 116.1
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