CID 2777261

4-(trifluoromethoxy)benzyl chloride

Structural Information

Molecular Formula
C8H6ClF3O
SMILES
C1=CC(=CC=C1CCl)OC(F)(F)F
InChI
InChI=1S/C8H6ClF3O/c9-5-6-1-3-7(4-2-6)13-8(10,11)12/h1-4H,5H2
InChIKey
LBMKFQMJURUPKC-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-4-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

341
Patents

210.00592 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.01320 135.2
[M+Na]+ 232.99514 145.5
[M-H]- 208.99864 135.3
[M+NH4]+ 228.03974 155.2
[M+K]+ 248.96908 141.4
[M+H-H2O]+ 193.00318 128.3
[M+HCOO]- 255.00412 151.1
[M+CH3COO]- 269.01977 183.3
[M+Na-2H]- 230.98059 141.8
[M]+ 210.00537 134.6
[M]- 210.00647 134.6
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