CID 177795265

1-bromo-2,5-difluoro-4-(prop-2-yn-1-yloxy)benzene

Structural Information

Molecular Formula
C9H5BrF2O
SMILES
C#CCOC1=CC(=C(C=C1F)Br)F
InChI
InChI=1S/C9H5BrF2O/c1-2-3-13-9-5-7(11)6(10)4-8(9)12/h1,4-5H,3H2
InChIKey
APPAHJOAIOOZAF-UHFFFAOYSA-N
Compound name
1-bromo-2,5-difluoro-4-prop-2-ynoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.94917 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.95645 135.7
[M+Na]+ 268.93839 151.2
[M-H]- 244.94189 137.6
[M+NH4]+ 263.98299 154.9
[M+K]+ 284.91233 138.8
[M+H-H2O]+ 228.94643 128.9
[M+HCOO]- 290.94737 153.1
[M+CH3COO]- 304.96302 197.7
[M+Na-2H]- 266.92384 141.2
[M]+ 245.94862 146.9
[M]- 245.94972 146.9
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

No patent data available for this compound.