CID 14949941

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

Structural Information

Molecular Formula
C9H8BrF3
SMILES
C1=CC(=CC=C1CCBr)C(F)(F)F
InChI
InChI=1S/C9H8BrF3/c10-6-5-7-1-3-8(4-2-7)9(11,12)13/h1-4H,5-6H2
InChIKey
WTCVMJLGKMOROW-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-4-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

275
Patents

251.97615 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.983426 147.8
[M+Na]+ 274.965368 160.0
[M-H]- 250.968874 150.6
[M+NH4]+ 270.009973 168.8
[M+K]+ 290.939308 148.1
[M+H-H2O]+ 234.973410 146.1
[M+HCOO]- 296.974351 165.3
[M+CH3COO]- 310.990001 190.6
[M+Na-2H]- 272.950816 154.6
[M]+ 251.97560142 162.6
[M]- 251.97669858 162.6
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