CID 14618247

4-bromo-2-fluoro-1-propoxybenzene

Structural Information

Molecular Formula
C9H10BrFO
SMILES
CCCOC1=C(C=C(C=C1)Br)F
InChI
InChI=1S/C9H10BrFO/c1-2-5-12-9-4-3-7(10)6-8(9)11/h3-4,6H,2,5H2,1H3
InChIKey
MHEJXUAOBZGJKW-UHFFFAOYSA-N
Compound name
4-bromo-2-fluoro-1-propoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

231.98991 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.997186 140.8
[M+Na]+ 254.979128 153.2
[M-H]- 230.982634 146.2
[M+NH4]+ 250.023733 162.9
[M+K]+ 270.953068 142.4
[M+H-H2O]+ 214.987170 140.4
[M+HCOO]- 276.988111 162.0
[M+CH3COO]- 291.003761 188.5
[M+Na-2H]- 252.964576 148.0
[M]+ 231.98936142 160.3
[M]- 231.99045858 160.3
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

patents stripe