CID 10915825

3,5-pyridinedicarbonyl dichloride, 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-

Structural Information

Molecular Formula
C13H10Cl2F5NO2
SMILES
CC(C)CC1=C(C(=NC(=C1C(=O)Cl)C(F)(F)F)C(F)F)C(=O)Cl
InChI
InChI=1S/C13H10Cl2F5NO2/c1-4(2)3-5-6(10(14)22)8(12(16)17)21-9(13(18,19)20)7(5)11(15)23/h4,12H,3H2,1-2H3
InChIKey
KZQDNWPBLXMQJL-UHFFFAOYSA-N
Compound name
2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,5-dicarbonyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

35
Patents

377.0009 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.00818 164.7
[M+Na]+ 399.99012 175.5
[M-H]- 375.99362 161.0
[M+NH4]+ 395.03472 177.4
[M+K]+ 415.96406 169.4
[M+H-H2O]+ 359.99816 156.3
[M+HCOO]- 421.99910 167.8
[M+CH3COO]- 436.01475 217.6
[M+Na-2H]- 397.97557 161.3
[M]+ 377.00035 164.4
[M]- 377.00145 164.4
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