CID 6921

2-chlorobenzotrifluoride

Structural Information

Molecular Formula
C7H4ClF3
SMILES
C1=CC=C(C(=C1)C(F)(F)F)Cl
InChI
InChI=1S/C7H4ClF3/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H
InChIKey
DGRVQOKCSKDWIH-UHFFFAOYSA-N
Compound name
1-chloro-2-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4742
Patents

179.99536 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.00264 134.3
[M+Na]+ 202.98458 145.6
[M+NH4]+ 198.02918 141.7
[M+K]+ 218.95852 139.2
[M-H]- 178.98808 132.4
[M+Na-2H]- 200.97003 140.4
[M]+ 179.99481 135.5
[M]- 179.99591 135.5
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