CID 2778195

3-chloro-2,4,5,6-tetrafluorobenzotrifluoride

Structural Information

Molecular Formula
C7ClF7
SMILES
C1(=C(C(=C(C(=C1F)Cl)F)F)F)C(F)(F)F
InChI
InChI=1S/C7ClF7/c8-2-3(9)1(7(13,14)15)4(10)6(12)5(2)11
InChIKey
WFPMVEWSBGBVKV-UHFFFAOYSA-N
Compound name
1-chloro-2,3,4,6-tetrafluoro-5-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

251.95767 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.96495 135.5
[M+Na]+ 274.94689 149.9
[M-H]- 250.95039 131.8
[M+NH4]+ 269.99149 154.4
[M+K]+ 290.92083 144.1
[M+H-H2O]+ 234.95493 126.2
[M+HCOO]- 296.95587 147.1
[M+CH3COO]- 310.97152 194.7
[M+Na-2H]- 272.93234 137.6
[M]+ 251.95712 129.4
[M]- 251.95822 129.4
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