CID 50998558

1227160-18-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

264
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.