CID 118822700

4-chloro-2-(difluoromethyl)-3-methylpyridine

Structural Information

Molecular Formula
C7H6ClF2N
SMILES
CC1=C(C=CN=C1C(F)F)Cl
InChI
InChI=1S/C7H6ClF2N/c1-4-5(8)2-3-11-6(4)7(9)10/h2-3,7H,1H3
InChIKey
MDGXGMTVPNLQMS-UHFFFAOYSA-N
Compound name
4-chloro-2-(difluoromethyl)-3-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.01569 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.02297 127.9
[M+Na]+ 200.00491 138.7
[M-H]- 176.00841 128.0
[M+NH4]+ 195.04951 148.0
[M+K]+ 215.97885 134.8
[M+H-H2O]+ 160.01295 121.1
[M+HCOO]- 222.01389 144.1
[M+CH3COO]- 236.02954 180.4
[M+Na-2H]- 197.99036 133.2
[M]+ 177.01514 127.4
[M]- 177.01624 127.4
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

No patent data available for this compound.