CID 157153

3-chloro-4-fluorobenzotrifluoride

Structural Information

Molecular Formula
C7H3ClF4
SMILES
C1=CC(=C(C=C1C(F)(F)F)Cl)F
InChI
InChI=1S/C7H3ClF4/c8-5-3-4(7(10,11)12)1-2-6(5)9/h1-3H
InChIKey
BKHVEYHSOXVAOP-UHFFFAOYSA-N
Compound name
2-chloro-1-fluoro-4-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

332
Patents

197.98595 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.99323 141.6
[M+Na]+ 220.97517 151.5
[M+NH4]+ 216.01977 147.6
[M+K]+ 236.94911 145.5
[M-H]- 196.97867 138.2
[M+Na-2H]- 218.96062 146.1
[M]+ 197.98540 142.1
[M]- 197.98650 142.1
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