CID 67866

3-fluorobenzotrichloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

211.93626 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.94354 135.2
[M+Na]+ 234.92548 145.9
[M-H]- 210.92898 136.1
[M+NH4]+ 229.97008 155.3
[M+K]+ 250.89942 139.9
[M+H-H2O]+ 194.93352 131.7
[M+HCOO]- 256.93446 142.5
[M+CH3COO]- 270.95011 183.4
[M+Na-2H]- 232.91093 141.3
[M]+ 211.93571 136.0
[M]- 211.93681 136.0
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