CID 102709

1890-47-7

Structural Information

Molecular Formula
C11H6Cl6F4
SMILES
C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C3CC(C3(F)F)(F)F
InChI
InChI=1S/C11H6Cl6F4/c12-5-6(13)9(15)3(1-7(5,14)11(9,16)17)4-2-8(18,19)10(4,20)21/h3-4H,1-2H2
InChIKey
AQMBCTVWIICIFZ-UHFFFAOYSA-N
Compound name
1,2,3,4,7,7-hexachloro-5-(2,2,3,3-tetrafluorocyclobutyl)bicyclo[2.2.1]hept-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.85367 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.86095 159.5
[M+Na]+ 446.84289 172.2
[M-H]- 422.84639 155.7
[M+NH4]+ 441.88749 176.6
[M+K]+ 462.81683 164.7
[M+H-H2O]+ 406.85093 156.6
[M+HCOO]- 468.85187 148.7
[M+CH3COO]- 482.86752 167.0
[M+Na-2H]- 444.82834 158.2
[M]+ 423.85312 161.1
[M]- 423.85422 161.1
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.