CID 260004

1-(3-bromopropoxy)-4-fluorobenzene

Structural Information

Molecular Formula
C9H10BrFO
SMILES
C1=CC(=CC=C1OCCCBr)F
InChI
InChI=1S/C9H10BrFO/c10-6-1-7-12-9-4-2-8(11)3-5-9/h2-5H,1,6-7H2
InChIKey
VKNUENLPKPOOPS-UHFFFAOYSA-N
Compound name
1-(3-bromopropoxy)-4-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

217
Patents

231.98991 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.997186 141.6
[M+Na]+ 254.979128 153.1
[M-H]- 230.982634 146.6
[M+NH4]+ 250.023733 163.3
[M+K]+ 270.953068 142.2
[M+H-H2O]+ 214.987170 141.0
[M+HCOO]- 276.988111 162.8
[M+CH3COO]- 291.003761 187.5
[M+Na-2H]- 252.964576 149.3
[M]+ 231.98936142 160.7
[M]- 231.99045858 160.7
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