CID 53431893

923569-77-1

Structural Information

Molecular Formula
C12H9ClF7NO
SMILES
CC1=C(C=CC(=C1)OC)N=C(C(C(C(F)(F)F)(F)F)(F)F)Cl
InChI
InChI=1S/C12H9ClF7NO/c1-6-5-7(22-2)3-4-8(6)21-9(13)10(14,15)11(16,17)12(18,19)20/h3-5H,1-2H3
InChIKey
DQIJQQYCIDPTKA-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-N-(4-methoxy-2-methylphenyl)butanimidoyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

351.0261 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.03338 166.7
[M+Na]+ 374.01532 176.8
[M-H]- 350.01882 163.3
[M+NH4]+ 369.05992 181.2
[M+K]+ 389.98926 171.8
[M+H-H2O]+ 334.02336 155.9
[M+HCOO]- 396.02430 175.5
[M+CH3COO]- 410.03995 215.3
[M+Na-2H]- 372.00077 169.5
[M]+ 351.02555 161.3
[M]- 351.02665 161.3
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