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]+ 292.97835 152.1
[M+Na]+ 314.96029 165.7
[M-H]- 290.96379 158.7
[M+NH4]+ 310.00489 167.1
[M+K]+ 330.93423 153.3
[M+H-H2O]+ 274.96833 149.4
[M+HCOO]- 336.96927 169.1
[M+CH3COO]- 350.98492 200.1
[M+Na-2H]- 312.94574 156.9
[M]+ 291.97052 168.5
[M]- 291.97162 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.