CID 155819774

1-bromo-3-(1,2,2-trifluorocyclopropyl)benzene

Structural Information

Molecular Formula
C9H6BrF3
SMILES
C1C(C1(F)F)(C2=CC(=CC=C2)Br)F
InChI
InChI=1S/C9H6BrF3/c10-7-3-1-2-6(4-7)8(11)5-9(8,12)13/h1-4H,5H2
InChIKey
MEUVYXKVYJSYCA-UHFFFAOYSA-N
Compound name
1-bromo-3-(1,2,2-trifluorocyclopropyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.9605 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.96778 138.9
[M+Na]+ 272.94972 154.3
[M-H]- 248.95322 146.4
[M+NH4]+ 267.99432 159.1
[M+K]+ 288.92366 143.8
[M+H-H2O]+ 232.95776 138.2
[M+HCOO]- 294.95870 158.1
[M+CH3COO]- 308.97435 192.7
[M+Na-2H]- 270.93517 147.4
[M]+ 249.95995 156.2
[M]- 249.96105 156.2
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.