CID 130140181

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

Structural Information

Molecular Formula
C9H7BrClF3
SMILES
CC(C1=CC(=C(C=C1)Cl)C(F)(F)F)Br
InChI
InChI=1S/C9H7BrClF3/c1-5(10)6-2-3-8(11)7(4-6)9(12,13)14/h2-5H,1H3
InChIKey
LEIDSVUSHGVFDY-UHFFFAOYSA-N
Compound name
4-(1-bromoethyl)-1-chloro-2-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.93716 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.94444 150.9
[M+Na]+ 308.92638 164.7
[M-H]- 284.92988 154.0
[M+NH4]+ 303.97098 171.8
[M+K]+ 324.90032 151.1
[M+H-H2O]+ 268.93442 150.1
[M+HCOO]- 330.93536 163.2
[M+CH3COO]- 344.95101 195.9
[M+Na-2H]- 306.91183 155.8
[M]+ 285.93661 167.4
[M]- 285.93771 167.4
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

No patent data available for this compound.