CID 67573

1,3,5-trichloro-2,4,6-trifluorobenzene

Structural Information

Molecular Formula
C6Cl3F3
SMILES
C1(=C(C(=C(C(=C1Cl)F)Cl)F)Cl)F
InChI
InChI=1S/C6Cl3F3/c7-1-4(10)2(8)6(12)3(9)5(1)11
InChIKey
QPXZZPSKCVNHFW-UHFFFAOYSA-N
Compound name
1,3,5-trichloro-2,4,6-trifluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

74
Patents

233.90176 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.90904 130.3
[M+Na]+ 256.89098 144.4
[M-H]- 232.89448 129.6
[M+NH4]+ 251.93558 150.4
[M+K]+ 272.86492 137.8
[M+H-H2O]+ 216.89902 125.9
[M+HCOO]- 278.89996 137.6
[M+CH3COO]- 292.91561 190.5
[M+Na-2H]- 254.87643 133.0
[M]+ 233.90121 130.7
[M]- 233.90231 130.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe