CID 14033114

1-(bromomethyl)-4-(2,2,2-trifluoroethoxy)benzene

Structural Information

Molecular Formula
C9H8BrF3O
SMILES
C1=CC(=CC=C1CBr)OCC(F)(F)F
InChI
InChI=1S/C9H8BrF3O/c10-5-7-1-3-8(4-2-7)14-6-9(11,12)13/h1-4H,5-6H2
InChIKey
CZDBWHVEQFCRIG-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-4-(2,2,2-trifluoroethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

267.97107 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.978346 150.9
[M+Na]+ 290.960288 162.9
[M-H]- 266.963794 153.6
[M+NH4]+ 286.004893 171.2
[M+K]+ 306.934228 151.5
[M+H-H2O]+ 250.968330 148.9
[M+HCOO]- 312.969271 168.5
[M+CH3COO]- 326.984921 192.4
[M+Na-2H]- 288.945736 157.6
[M]+ 267.97052142 167.0
[M]- 267.97161858 167.0
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

patents stripe