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]+ 286.96892 155.5
[M+Na]+ 308.95086 167.9
[M-H]- 284.95436 157.1
[M+NH4]+ 303.99546 175.0
[M+K]+ 324.92480 156.4
[M+H-H2O]+ 268.95890 153.0
[M+HCOO]- 330.95984 170.5
[M+CH3COO]- 344.97549 196.1
[M+Na-2H]- 306.93631 162.1
[M]+ 285.96109 169.8
[M]- 285.96219 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.