CID 2733399

3,4,5-trichlorobenzotrifluoride

Structural Information

Molecular Formula
C7H2Cl3F3
SMILES
C1=C(C=C(C(=C1Cl)Cl)Cl)C(F)(F)F
InChI
InChI=1S/C7H2Cl3F3/c8-4-1-3(7(11,12)13)2-5(9)6(4)10/h1-2H
InChIKey
FBKFIAIRSQOXJR-UHFFFAOYSA-N
Compound name
1,2,3-trichloro-5-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1198
Patents

247.91742 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.92470 137.1
[M+Na]+ 270.90664 149.6
[M-H]- 246.91014 136.1
[M+NH4]+ 265.95124 156.3
[M+K]+ 286.88058 143.0
[M+H-H2O]+ 230.91468 132.3
[M+HCOO]- 292.91562 142.6
[M+CH3COO]- 306.93127 190.8
[M+Na-2H]- 268.89209 141.1
[M]+ 247.91687 136.6
[M]- 247.91797 136.6
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