CID 600965

62476-62-4

Structural Information

Molecular Formula
C7H4Cl3F
SMILES
C1=CC(=C(C(=C1)Cl)C(Cl)Cl)F
InChI
InChI=1S/C7H4Cl3F/c8-4-2-1-3-5(11)6(4)7(9)10/h1-3,7H
InChIKey
LQIXIKRJISFVEC-UHFFFAOYSA-N
Compound name
1-chloro-2-(dichloromethyl)-3-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

211.93626 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.94354 133.5
[M+Na]+ 234.92548 148.3
[M+NH4]+ 229.97008 143.0
[M+K]+ 250.89942 140.4
[M-H]- 210.92898 134.7
[M+Na-2H]- 232.91093 141.1
[M]+ 211.93571 136.9
[M]- 211.93681 136.9
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