CID 10636516

1-(3-bromopropanesulfonyl)-4-fluorobenzene

Structural Information

Molecular Formula
C9H10BrFO2S
SMILES
C1=CC(=CC=C1F)S(=O)(=O)CCCBr
InChI
InChI=1S/C9H10BrFO2S/c10-6-1-7-14(12,13)9-4-2-8(11)3-5-9/h2-5H,1,6-7H2
InChIKey
AOHVGJZTPXYBFW-UHFFFAOYSA-N
Compound name
1-(3-bromopropylsulfonyl)-4-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.95688 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.96416 143.0
[M+Na]+ 302.94610 155.8
[M-H]- 278.94960 148.6
[M+NH4]+ 297.99070 163.6
[M+K]+ 318.92004 143.5
[M+H-H2O]+ 262.95414 142.9
[M+HCOO]- 324.95508 158.6
[M+CH3COO]- 338.97073 191.6
[M+Na-2H]- 300.93155 149.1
[M]+ 279.95633 163.9
[M]- 279.95743 163.9
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.