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

45
Patents

229.95541 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.96269 138.3
[M+Na]+ 252.94463 151.9
[M-H]- 228.94813 142.3
[M+NH4]+ 247.98923 157.1
[M+K]+ 268.91857 141.3
[M+H-H2O]+ 212.95267 137.4
[M+HCOO]- 274.95361 154.9
[M+CH3COO]- 288.96926 188.5
[M+Na-2H]- 250.93008 145.6
[M]+ 229.95486 154.9
[M]- 229.95596 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