CID 73425113

4-chloro-2-(1,1-difluoroethyl)pyridine

Structural Information

Molecular Formula
C7H6ClF2N
SMILES
CC(C1=NC=CC(=C1)Cl)(F)F
InChI
InChI=1S/C7H6ClF2N/c1-7(9,10)6-4-5(8)2-3-11-6/h2-4H,1H3
InChIKey
BBWCFZRKVCLSBP-UHFFFAOYSA-N
Compound name
4-chloro-2-(1,1-difluoroethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

177.01569 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.022966 129.2
[M+Na]+ 200.004908 139.7
[M-H]- 176.008414 129.2
[M+NH4]+ 195.049513 149.2
[M+K]+ 215.978848 135.8
[M+H-H2O]+ 160.012950 122.5
[M+HCOO]- 222.013891 144.8
[M+CH3COO]- 236.029541 178.8
[M+Na-2H]- 197.990356 136.9
[M]+ 177.01514142 128.4
[M]- 177.01623858 128.4
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