CID 379445

102612-65-7

Structural Information

Molecular Formula
C7H7Cl2F4NO2
SMILES
CC(CC(C(F)(F)Cl)(C(F)(F)Cl)O)(C#N)O
InChI
InChI=1S/C7H7Cl2F4NO2/c1-4(15,3-14)2-5(16,6(8,10)11)7(9,12)13/h15-16H,2H2,1H3
InChIKey
OEIHURFLMQCJIG-UHFFFAOYSA-N
Compound name
5-chloro-4-[chloro(difluoro)methyl]-5,5-difluoro-2,4-dihydroxy-2-methylpentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.979 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.98628 150.4
[M+Na]+ 305.96822 160.1
[M-H]- 281.97172 144.6
[M+NH4]+ 301.01282 164.6
[M+K]+ 321.94216 156.3
[M+H-H2O]+ 265.97626 139.8
[M+HCOO]- 327.97720 150.9
[M+CH3COO]- 341.99285 202.7
[M+Na-2H]- 303.95367 155.7
[M]+ 282.97845 142.1
[M]- 282.97955 142.1
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.