CID 23148745

9-(bromomethyl)nonadecane

Structural Information

Molecular Formula
C20H41Br
SMILES
CCCCCCCCCCC(CCCCCCCC)CBr
InChI
InChI=1S/C20H41Br/c1-3-5-7-9-11-12-14-16-18-20(19-21)17-15-13-10-8-6-4-2/h20H,3-19H2,1-2H3
InChIKey
XSQSDBVMLJNZKU-UHFFFAOYSA-N
Compound name
9-(bromomethyl)nonadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

276
Patents

360.23917 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.24645 194.7
[M+Na]+ 383.22839 199.7
[M-H]- 359.23189 195.1
[M+NH4]+ 378.27299 211.5
[M+K]+ 399.20233 186.4
[M+H-H2O]+ 343.23643 192.9
[M+HCOO]- 405.23737 210.4
[M+CH3COO]- 419.25302 218.2
[M+Na-2H]- 381.21384 193.9
[M]+ 360.23862 218.4
[M]- 360.23972 218.4
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