CID 64489538

[4-bromo-2-(trifluoromethyl)phenyl](cyclopropyl)methanone

Structural Information

Molecular Formula
C11H8BrF3O
SMILES
C1CC1C(=O)C2=C(C=C(C=C2)Br)C(F)(F)F
InChI
InChI=1S/C11H8BrF3O/c12-7-3-4-8(10(16)6-1-2-6)9(5-7)11(13,14)15/h3-6H,1-2H2
InChIKey
FJBPGXYEYDPQHI-UHFFFAOYSA-N
Compound name
[4-bromo-2-(trifluoromethyl)phenyl]-cyclopropylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.97107 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.978346 152.1
[M+Na]+ 314.960288 165.7
[M-H]- 290.963794 158.7
[M+NH4]+ 310.004893 167.1
[M+K]+ 330.934228 153.3
[M+H-H2O]+ 274.968330 149.4
[M+HCOO]- 336.969271 169.1
[M+CH3COO]- 350.984921 200.1
[M+Na-2H]- 312.945736 156.9
[M]+ 291.97052142 168.5
[M]- 291.97161858 168.5
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.