CID 8218

1-bromooctadecane

Structural Information

Molecular Formula
C18H37Br
SMILES
CCCCCCCCCCCCCCCCCCBr
InChI
InChI=1S/C18H37Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3
InChIKey
WSULSMOGMLRGKU-UHFFFAOYSA-N
Compound name
1-bromooctadecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

5957
Patents

332.20786 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.21514 184.4
[M+Na]+ 355.19708 190.4
[M-H]- 331.20058 185.2
[M+NH4]+ 350.24168 202.4
[M+K]+ 371.17102 177.3
[M+H-H2O]+ 315.20512 183.0
[M+HCOO]- 377.20606 201.8
[M+CH3COO]- 391.22171 212.1
[M+Na-2H]- 353.18253 186.0
[M]+ 332.20731 208.1
[M]- 332.20841 208.1
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