CID 142097

1-chloro-2,3,4-trifluorobenzene

Structural Information

Molecular Formula
C6H2ClF3
SMILES
C1=CC(=C(C(=C1F)F)F)Cl
InChI
InChI=1S/C6H2ClF3/c7-3-1-2-4(8)6(10)5(3)9/h1-2H
InChIKey
QEIDAZALPGAFIS-UHFFFAOYSA-N
Compound name
1-chloro-2,3,4-trifluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

170
Patents

165.9797 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.98698 120.5
[M+Na]+ 188.96892 132.9
[M-H]- 164.97242 121.3
[M+NH4]+ 184.01352 142.7
[M+K]+ 204.94286 128.6
[M+H-H2O]+ 148.97696 114.3
[M+HCOO]- 210.97790 138.4
[M+CH3COO]- 224.99355 177.9
[M+Na-2H]- 186.95437 126.4
[M]+ 165.97915 119.0
[M]- 165.98025 119.0
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