CID 14883782

1-(3-bromopropyl)-2-fluorobenzene

Structural Information

Molecular Formula
C9H10BrF
SMILES
C1=CC=C(C(=C1)CCCBr)F
InChI
InChI=1S/C9H10BrF/c10-7-3-5-8-4-1-2-6-9(8)11/h1-2,4,6H,3,5,7H2
InChIKey
VFAHCURDJBNWCN-UHFFFAOYSA-N
Compound name
1-(3-bromopropyl)-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

215.995 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.00228 138.5
[M+Na]+ 238.98422 150.1
[M-H]- 214.98772 143.6
[M+NH4]+ 234.02882 161.0
[M+K]+ 254.95816 138.9
[M+H-H2O]+ 198.99226 138.3
[M+HCOO]- 260.99320 159.6
[M+CH3COO]- 275.00885 185.7
[M+Na-2H]- 236.96967 146.4
[M]+ 215.99445 156.3
[M]- 215.99555 156.3
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