CID 122164417

1-bromo-4-(2,2-difluorocyclopropoxy)benzene

Structural Information

Molecular Formula
C9H7BrF2O
SMILES
C1C(C1(F)F)OC2=CC=C(C=C2)Br
InChI
InChI=1S/C9H7BrF2O/c10-6-1-3-7(4-2-6)13-8-5-9(8,11)12/h1-4,8H,5H2
InChIKey
APGAHIHIJPLBKY-UHFFFAOYSA-N
Compound name
1-bromo-4-(2,2-difluorocyclopropyl)oxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.96483 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.97211 141.0
[M+Na]+ 270.95405 155.7
[M-H]- 246.95755 149.3
[M+NH4]+ 265.99865 159.5
[M+K]+ 286.92799 145.0
[M+H-H2O]+ 230.96209 140.0
[M+HCOO]- 292.96303 161.6
[M+CH3COO]- 306.97868 192.1
[M+Na-2H]- 268.93950 149.0
[M]+ 247.96428 160.2
[M]- 247.96538 160.2
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.