CID 60623022

2,5-dichloro-4-(difluoromethyl)pyridine

Structural Information

Molecular Formula
C6H3Cl2F2N
SMILES
C1=C(C(=CN=C1Cl)Cl)C(F)F
InChI
InChI=1S/C6H3Cl2F2N/c7-4-2-11-5(8)1-3(4)6(9)10/h1-2,6H
InChIKey
SSHXHQFEKOXQKM-UHFFFAOYSA-N
Compound name
2,5-dichloro-4-(difluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

196.96106 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.968336 127.8
[M+Na]+ 219.950278 139.2
[M-H]- 195.953784 127.3
[M+NH4]+ 214.994883 147.4
[M+K]+ 235.924218 134.2
[M+H-H2O]+ 179.958320 121.7
[M+HCOO]- 241.959261 139.2
[M+CH3COO]- 255.974911 182.2
[M+Na-2H]- 217.935726 133.0
[M]+ 196.96051142 128.0
[M]- 196.96160858 128.0
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