CID 20496

1-bromononadecane

Structural Information

Molecular Formula
C19H39Br
SMILES
CCCCCCCCCCCCCCCCCCCBr
InChI
InChI=1S/C19H39Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h2-19H2,1H3
InChIKey
GWESGLGUMMNXDU-UHFFFAOYSA-N
Compound name
1-bromononadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

404
Patents

346.2235 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.23078 188.9
[M+Na]+ 369.21272 194.5
[M-H]- 345.21622 189.4
[M+NH4]+ 364.25732 206.3
[M+K]+ 385.18666 181.1
[M+H-H2O]+ 329.22076 187.3
[M+HCOO]- 391.22170 205.9
[M+CH3COO]- 405.23735 214.8
[M+Na-2H]- 367.19817 189.9
[M]+ 346.22295 212.9
[M]- 346.22405 212.9
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