CID 81697478

1-[4-bromo-3-(trifluoromethyl)phenyl]cyclopropan-1-ol

Structural Information

Molecular Formula
C10H8BrF3O
SMILES
C1CC1(C2=CC(=C(C=C2)Br)C(F)(F)F)O
InChI
InChI=1S/C10H8BrF3O/c11-8-2-1-6(9(15)3-4-9)5-7(8)10(12,13)14/h1-2,5,15H,3-4H2
InChIKey
QQIJYWDFERDDBW-UHFFFAOYSA-N
Compound name
1-[4-bromo-3-(trifluoromethyl)phenyl]cyclopropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.97107 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.97835 148.3
[M+Na]+ 302.96029 162.5
[M-H]- 278.96379 154.1
[M+NH4]+ 298.00489 165.0
[M+K]+ 318.93423 150.6
[M+H-H2O]+ 262.96833 147.0
[M+HCOO]- 324.96927 164.7
[M+CH3COO]- 338.98492 194.7
[M+Na-2H]- 300.94574 155.4
[M]+ 279.97052 164.5
[M]- 279.97162 164.5
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.