CID 91757585

1261587-91-0

Structural Information

Molecular Formula
C9H8ClF3O
SMILES
COC1=CC(=C(C=C1)C(F)(F)F)CCl
InChI
InChI=1S/C9H8ClF3O/c1-14-7-2-3-8(9(11,12)13)6(4-7)5-10/h2-4H,5H2,1H3
InChIKey
KVWWCURTVKHMIJ-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-4-methoxy-1-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.02158 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.028856 139.4
[M+Na]+ 247.010798 150.2
[M-H]- 223.014304 139.7
[M+NH4]+ 242.055403 159.2
[M+K]+ 262.984738 145.9
[M+H-H2O]+ 207.018840 132.6
[M+HCOO]- 269.019781 155.0
[M+CH3COO]- 283.035431 187.5
[M+Na-2H]- 244.996246 144.8
[M]+ 224.02103142 139.5
[M]- 224.02212858 139.5
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

No patent data available for this compound.