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
3
Annotation Hits

0
References

1090
Patents

388.27045 Da
Monoisotopic Mass

12.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.277726 202.1
[M+Na]+ 411.259668 206.4
[M-H]- 387.263174 202.0
[M+NH4]+ 406.304273 217.9
[M+K]+ 427.233608 192.3
[M+H-H2O]+ 371.267710 199.9
[M+HCOO]- 433.268651 218.1
[M+CH3COO]- 447.284301 223.1
[M+Na-2H]- 409.245116 201.5
[M]+ 388.26990142 227.1
[M]- 388.27099858 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