CID 86277441

1-bromo-2-[1-(trifluoromethyl)cyclopropyl]benzene

Structural Information

Molecular Formula
C10H8BrF3
SMILES
C1CC1(C2=CC=CC=C2Br)C(F)(F)F
InChI
InChI=1S/C10H8BrF3/c11-8-4-2-1-3-7(8)9(5-6-9)10(12,13)14/h1-4H,5-6H2
InChIKey
LYTQDHFGAWIWHE-UHFFFAOYSA-N
Compound name
1-bromo-2-[1-(trifluoromethyl)cyclopropyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

263.97614 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.98342 146.1
[M+Na]+ 286.96536 160.1
[M-H]- 262.96886 152.9
[M+NH4]+ 282.00996 163.9
[M+K]+ 302.93930 148.8
[M+H-H2O]+ 246.97340 144.5
[M+HCOO]- 308.97434 163.8
[M+CH3COO]- 322.98999 194.3
[M+Na-2H]- 284.95081 154.1
[M]+ 263.97559 162.3
[M]- 263.97669 162.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe