CID 137952055

1-bromo-4-(1,1,2,2-tetrafluoro-2-methoxyethyl)benzene

Structural Information

Molecular Formula
C9H7BrF4O
SMILES
COC(C(C1=CC=C(C=C1)Br)(F)F)(F)F
InChI
InChI=1S/C9H7BrF4O/c1-15-9(13,14)8(11,12)6-2-4-7(10)5-3-6/h2-5H,1H3
InChIKey
MDGZLRMVHHJVFQ-UHFFFAOYSA-N
Compound name
1-bromo-4-(1,1,2,2-tetrafluoro-2-methoxyethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.96164 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.968916 155.5
[M+Na]+ 308.950858 167.9
[M-H]- 284.954364 157.1
[M+NH4]+ 303.995463 175.0
[M+K]+ 324.924798 156.4
[M+H-H2O]+ 268.958900 153.0
[M+HCOO]- 330.959841 170.5
[M+CH3COO]- 344.975491 196.1
[M+Na-2H]- 306.936306 162.1
[M]+ 285.96109142 169.8
[M]- 285.96218858 169.8
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.