CID 11001479

1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)benzene

Structural Information

Molecular Formula
C9H4Cl2F6O
SMILES
C1=CC(=C(C=C1Cl)OC(C(C(F)(F)F)F)(F)F)Cl
InChI
InChI=1S/C9H4Cl2F6O/c10-4-1-2-5(11)6(3-4)18-9(16,17)7(12)8(13,14)15/h1-3,7H
InChIKey
YNXYLOSBSOCELW-UHFFFAOYSA-N
Compound name
1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

311.95435 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.96163 149.7
[M+Na]+ 334.94357 161.0
[M-H]- 310.94707 145.8
[M+NH4]+ 329.98817 165.9
[M+K]+ 350.91751 154.9
[M+H-H2O]+ 294.95161 141.2
[M+HCOO]- 356.95255 154.7
[M+CH3COO]- 370.96820 201.7
[M+Na-2H]- 332.92902 152.5
[M]+ 311.95380 146.3
[M]- 311.95490 146.3
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