CID 51556614

2,6-difluoro-4-methylpyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

129.039 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.046276 118.3
[M+Na]+ 152.028218 129.0
[M-H]- 128.031724 118.8
[M+NH4]+ 147.072823 139.6
[M+K]+ 168.002158 127.0
[M+H-H2O]+ 112.036260 111.0
[M+HCOO]- 174.037201 140.5
[M+CH3COO]- 188.052851 172.7
[M+Na-2H]- 150.013666 125.8
[M]+ 129.03845142 116.1
[M]- 129.03954858 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