CID 12947394

1-(1-bromoethyl)-4-(trifluoromethoxy)benzene

Structural Information

Molecular Formula
C9H8BrF3O
SMILES
CC(C1=CC=C(C=C1)OC(F)(F)F)Br
InChI
InChI=1S/C9H8BrF3O/c1-6(10)7-2-4-8(5-3-7)14-9(11,12)13/h2-6H,1H3
InChIKey
RNXABUQTPSAAJW-UHFFFAOYSA-N
Compound name
1-(1-bromoethyl)-4-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

267.97107 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.97835 157.7
[M+Na]+ 290.96029 158.8
[M+NH4]+ 286.00489 160.5
[M+K]+ 306.93423 158.7
[M-H]- 266.96379 154.1
[M+Na-2H]- 288.94574 158.8
[M]+ 267.97052 155.6
[M]- 267.97162 155.6
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