CID 45790951

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

177.01569 Da
Monoisotopic Mass

2.6
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

literature stripe

Patent stripe

patents stripe