CID 8140

1-bromooctane

Structural Information

Molecular Formula
C8H17Br
SMILES
CCCCCCCCBr
InChI
InChI=1S/C8H17Br/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3
InChIKey
VMKOFRJSULQZRM-UHFFFAOYSA-N
Compound name
1-bromooctane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

19
References

14229
Patents

192.05136 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.05864 139.0
[M+Na]+ 215.04058 149.0
[M-H]- 191.04408 141.7
[M+NH4]+ 210.08518 162.4
[M+K]+ 231.01452 138.6
[M+H-H2O]+ 175.04862 139.7
[M+HCOO]- 237.04956 159.7
[M+CH3COO]- 251.06521 184.1
[M+Na-2H]- 213.02603 146.1
[M]+ 192.05081 159.3
[M]- 192.05191 159.3
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