CID 137559

1-chloro-2,4,5-trifluorobenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

140
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

No literature data available for this compound.

Patent stripe

patents stripe