CID 81355

1-bromodocosane

Structural Information

Molecular Formula
C22H45Br
SMILES
CCCCCCCCCCCCCCCCCCCCCCBr
InChI
InChI=1S/C22H45Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h2-22H2,1H3
InChIKey
QYOXLKAKUAASNA-UHFFFAOYSA-N
Compound name
1-bromodocosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1074
Patents

388.27045 Da
Monoisotopic Mass

12.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.27773 202.1
[M+Na]+ 411.25967 206.4
[M-H]- 387.26317 202.0
[M+NH4]+ 406.30427 217.9
[M+K]+ 427.23361 192.3
[M+H-H2O]+ 371.26771 199.9
[M+HCOO]- 433.26865 218.1
[M+CH3COO]- 447.28430 223.1
[M+Na-2H]- 409.24512 201.5
[M]+ 388.26990 227.1
[M]- 388.27100 227.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.