CID 7374

3-chlorobenzotrifluoride

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

2
References

2274
Patents

179.99536 Da
Monoisotopic Mass

3.9
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