CID 5840383

Oleyl bromide

Structural Information

Molecular Formula
C18H35Br
SMILES
CCCCCCCC/C=C\CCCCCCCCBr
InChI
InChI=1S/C18H35Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10H,2-8,11-18H2,1H3/b10-9-
InChIKey
RRQWVJIFKFIUJU-KTKRTIGZSA-N
Compound name
(Z)-1-bromooctadec-9-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

594
Patents

330.1922 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.19948 182.7
[M+Na]+ 353.18142 189.1
[M-H]- 329.18492 183.5
[M+NH4]+ 348.22602 200.8
[M+K]+ 369.15536 175.4
[M+H-H2O]+ 313.18946 181.4
[M+HCOO]- 375.19040 200.3
[M+CH3COO]- 389.20605 210.6
[M+Na-2H]- 351.16687 184.4
[M]+ 330.19165 205.7
[M]- 330.19275 205.7
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