CID 70977

1,3-dichlorotetrafluorobenzene

Structural Information

Molecular Formula
C6Cl2F4
SMILES
C1(=C(C(=C(C(=C1F)Cl)F)Cl)F)F
InChI
InChI=1S/C6Cl2F4/c7-1-3(9)2(8)5(11)6(12)4(1)10
InChIKey
LFIJIYWQWRQWQC-UHFFFAOYSA-N
Compound name
1,3-dichloro-2,4,5,6-tetrafluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

217.93132 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.93860 126.5
[M+Na]+ 240.92054 141.0
[M-H]- 216.92404 125.8
[M+NH4]+ 235.96514 147.4
[M+K]+ 256.89448 134.9
[M+H-H2O]+ 200.92858 120.6
[M+HCOO]- 262.92952 138.3
[M+CH3COO]- 276.94517 187.8
[M+Na-2H]- 238.90599 129.8
[M]+ 217.93077 125.7
[M]- 217.93187 125.7
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