CID 2773853

4-chloro-3-(trifluoromethyl)anisole

Structural Information

Molecular Formula
C8H6ClF3O
SMILES
COC1=CC(=C(C=C1)Cl)C(F)(F)F
InChI
InChI=1S/C8H6ClF3O/c1-13-5-2-3-7(9)6(4-5)8(10,11)12/h2-4H,1H3
InChIKey
HUFKNQCAJLSTLH-UHFFFAOYSA-N
Compound name
1-chloro-4-methoxy-2-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

210.00592 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.01320 134.6
[M+Na]+ 232.99514 145.8
[M-H]- 208.99864 135.0
[M+NH4]+ 228.03974 154.9
[M+K]+ 248.96908 141.8
[M+H-H2O]+ 193.00318 128.0
[M+HCOO]- 255.00412 150.5
[M+CH3COO]- 269.01977 184.5
[M+Na-2H]- 230.98059 140.5
[M]+ 210.00537 134.3
[M]- 210.00647 134.3
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