CID 155820522

1-bromo-4-(1,2,2-trifluorocyclopropyl)benzene

Structural Information

Molecular Formula
C9H6BrF3
SMILES
C1C(C1(F)F)(C2=CC=C(C=C2)Br)F
InChI
InChI=1S/C9H6BrF3/c10-7-3-1-6(2-4-7)8(11)5-9(8,12)13/h1-4H,5H2
InChIKey
GZPVCWXPNOGSGI-UHFFFAOYSA-N
Compound name
1-bromo-4-(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]+ 250.967776 138.9
[M+Na]+ 272.949718 154.3
[M-H]- 248.953224 146.4
[M+NH4]+ 267.994323 159.1
[M+K]+ 288.923658 143.8
[M+H-H2O]+ 232.957760 138.2
[M+HCOO]- 294.958701 158.1
[M+CH3COO]- 308.974351 192.7
[M+Na-2H]- 270.935166 147.4
[M]+ 249.95995142 156.2
[M]- 249.96104858 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.