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

29
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 132.9
[M+Na]+ 234.92548 143.7
[M-H]- 210.92898 133.8
[M+NH4]+ 229.97008 153.1
[M+K]+ 250.89942 137.9
[M+H-H2O]+ 194.93352 129.5
[M+HCOO]- 256.93446 140.9
[M+CH3COO]- 270.95011 185.5
[M+Na-2H]- 232.91093 136.9
[M]+ 211.93571 134.2
[M]- 211.93681 134.2
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

patents stripe