CID 84819381

2-(chloromethyl)-6-(difluoromethyl)pyridine

Structural Information

Molecular Formula
C7H6ClF2N
SMILES
C1=CC(=NC(=C1)C(F)F)CCl
InChI
InChI=1S/C7H6ClF2N/c8-4-5-2-1-3-6(11-5)7(9)10/h1-3,7H,4H2
InChIKey
FYEGRVPMZGRRAQ-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-6-(difluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

177.01569 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.02297 128.4
[M+Na]+ 200.00491 138.2
[M-H]- 176.00841 128.1
[M+NH4]+ 195.04951 148.2
[M+K]+ 215.97885 134.4
[M+H-H2O]+ 160.01295 121.3
[M+HCOO]- 222.01389 144.7
[M+CH3COO]- 236.02954 179.3
[M+Na-2H]- 197.99036 134.4
[M]+ 177.01514 127.6
[M]- 177.01624 127.6
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