CID 11152316

Benzene, 1-[(1r)-1-(bromomethoxy)ethyl]-3,5-bis(trifluoromethyl)-

Structural Information

Molecular Formula
C11H9BrF6O
SMILES
C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OCBr
InChI
InChI=1S/C11H9BrF6O/c1-6(19-5-12)7-2-8(10(13,14)15)4-9(3-7)11(16,17)18/h2-4,6H,5H2,1H3/t6-/m1/s1
InChIKey
NUIVKNWZGLUSHN-ZCFIWIBFSA-N
Compound name
1-[(1R)-1-(bromomethoxy)ethyl]-3,5-bis(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

349.9741 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.98138 172.8
[M+Na]+ 372.96332 185.0
[M-H]- 348.96682 171.9
[M+NH4]+ 368.00792 189.8
[M+K]+ 388.93726 172.7
[M+H-H2O]+ 332.97136 168.2
[M+HCOO]- 394.97230 184.1
[M+CH3COO]- 408.98795 207.6
[M+Na-2H]- 370.94877 175.1
[M]+ 349.97355 184.6
[M]- 349.97465 184.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe