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

46
Patents

177.01569 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.02297 129.2
[M+Na]+ 200.00491 139.7
[M-H]- 176.00841 129.2
[M+NH4]+ 195.04951 149.2
[M+K]+ 215.97885 135.8
[M+H-H2O]+ 160.01295 122.5
[M+HCOO]- 222.01389 144.8
[M+CH3COO]- 236.02954 178.8
[M+Na-2H]- 197.99036 136.9
[M]+ 177.01514 128.4
[M]- 177.01624 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