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

1005
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

literature stripe

Patent stripe

patents stripe