CID 142785

1-(bromomethyl)-4-(trifluoromethoxy)benzene

Structural Information

Molecular Formula
C8H6BrF3O
SMILES
C1=CC(=CC=C1CBr)OC(F)(F)F
InChI
InChI=1S/C8H6BrF3O/c9-5-6-1-3-7(4-2-6)13-8(10,11)12/h1-4H,5H2
InChIKey
JDNPUJCKXLOHOW-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-4-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2333
Patents

253.95541 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.96269 146.1
[M+Na]+ 276.94463 158.6
[M-H]- 252.94813 149.0
[M+NH4]+ 271.98923 167.0
[M+K]+ 292.91857 147.4
[M+H-H2O]+ 236.95267 144.4
[M+HCOO]- 298.95361 164.1
[M+CH3COO]- 312.96926 189.6
[M+Na-2H]- 274.93008 153.4
[M]+ 253.95486 161.9
[M]- 253.95596 161.9
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