CID 83410166

1,5-dichloro-3-(chloromethyl)-2-fluorobenzene

Structural Information

Molecular Formula
C7H4Cl3F
SMILES
C1=C(C=C(C(=C1CCl)F)Cl)Cl
InChI
InChI=1S/C7H4Cl3F/c8-3-4-1-5(9)2-6(10)7(4)11/h1-2H,3H2
InChIKey
ASCWQSYZAJFEEP-UHFFFAOYSA-N
Compound name
1,5-dichloro-3-(chloromethyl)-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.93626 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.94354 133.1
[M+Na]+ 234.92548 145.1
[M-H]- 210.92898 134.2
[M+NH4]+ 229.97008 153.7
[M+K]+ 250.89942 138.9
[M+H-H2O]+ 194.93352 129.8
[M+HCOO]- 256.93446 142.0
[M+CH3COO]- 270.95011 185.8
[M+Na-2H]- 232.91093 137.5
[M]+ 211.93571 135.2
[M]- 211.93681 135.2
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.