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

195
Patents

231.98991 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.99719 141.6
[M+Na]+ 254.97913 153.1
[M-H]- 230.98263 146.6
[M+NH4]+ 250.02373 163.3
[M+K]+ 270.95307 142.2
[M+H-H2O]+ 214.98717 141.0
[M+HCOO]- 276.98811 162.8
[M+CH3COO]- 291.00376 187.5
[M+Na-2H]- 252.96458 149.3
[M]+ 231.98936 160.7
[M]- 231.99046 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