CID 130094468

4-(chloromethyl)-3-(difluoromethyl)pyridine hydrochloride

Structural Information

Molecular Formula
C7H6ClF2N
SMILES
C1=CN=CC(=C1CCl)C(F)F
InChI
InChI=1S/C7H6ClF2N/c8-3-5-1-2-11-4-6(5)7(9)10/h1-2,4,7H,3H2
InChIKey
UVRDPEQHXGPAQK-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-3-(difluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.01569 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.022966 128.4
[M+Na]+ 200.004908 138.2
[M-H]- 176.008414 128.1
[M+NH4]+ 195.049513 148.2
[M+K]+ 215.978848 134.4
[M+H-H2O]+ 160.012950 121.3
[M+HCOO]- 222.013891 144.7
[M+CH3COO]- 236.029541 179.3
[M+Na-2H]- 197.990356 134.4
[M]+ 177.01514142 127.6
[M]- 177.01623858 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

No patent data available for this compound.