CID 15390122

1-(2-bromoethyl)-4-(trifluoromethoxy)benzene

Structural Information

Molecular Formula
C9H8BrF3O
SMILES
C1=CC(=CC=C1CCBr)OC(F)(F)F
InChI
InChI=1S/C9H8BrF3O/c10-6-5-7-1-3-8(4-2-7)14-9(11,12)13/h1-4H,5-6H2
InChIKey
MSWCBPBZUARGEU-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-4-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
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 150.9
[M+Na]+ 290.96029 162.9
[M-H]- 266.96379 153.6
[M+NH4]+ 286.00489 171.2
[M+K]+ 306.93423 151.5
[M+H-H2O]+ 250.96833 148.9
[M+HCOO]- 312.96927 168.5
[M+CH3COO]- 326.98492 192.4
[M+Na-2H]- 288.94574 157.6
[M]+ 267.97052 167.0
[M]- 267.97162 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