CID 102536

4-bromooctane

Structural Information

Molecular Formula
C8H17Br
SMILES
CCCCC(CCC)Br
InChI
InChI=1S/C8H17Br/c1-3-5-7-8(9)6-4-2/h8H,3-7H2,1-2H3
InChIKey
FDODEDHSASFCSW-UHFFFAOYSA-N
Compound name
4-bromooctane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

192.05136 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.05864 139.9
[M+Na]+ 215.04058 149.7
[M-H]- 191.04408 142.7
[M+NH4]+ 210.08518 163.2
[M+K]+ 231.01452 139.6
[M+H-H2O]+ 175.04862 140.6
[M+HCOO]- 237.04956 159.6
[M+CH3COO]- 251.06521 184.8
[M+Na-2H]- 213.02603 145.8
[M]+ 192.05081 159.5
[M]- 192.05191 159.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe