CID 86698171

1382999-80-5

Structural Information

Molecular Formula
C6H6BrF3O
SMILES
C1CC1(C(=O)CBr)C(F)(F)F
InChI
InChI=1S/C6H6BrF3O/c7-3-4(11)5(1-2-5)6(8,9)10/h1-3H2
InChIKey
VYQMLAMIFLIUAE-UHFFFAOYSA-N
Compound name
2-bromo-1-[1-(trifluoromethyl)cyclopropyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

229.95541 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.962686 138.3
[M+Na]+ 252.944628 151.9
[M-H]- 228.948134 142.3
[M+NH4]+ 247.989233 157.1
[M+K]+ 268.918568 141.3
[M+H-H2O]+ 212.952670 137.4
[M+HCOO]- 274.953611 154.9
[M+CH3COO]- 288.969261 188.5
[M+Na-2H]- 250.930076 145.6
[M]+ 229.95486142 154.9
[M]- 229.95595858 154.9
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

patents stripe