CID 18459580

7-(bromomethyl)pentadecane

Structural Information

Molecular Formula
C16H33Br
SMILES
CCCCCCCCC(CCCCCC)CBr
InChI
InChI=1S/C16H33Br/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h16H,3-15H2,1-2H3
InChIKey
RWEKWRQKAHQYNE-UHFFFAOYSA-N
Compound name
7-(bromomethyl)pentadecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

393
Patents

304.17657 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.18385 176.7
[M+Na]+ 327.16579 183.3
[M-H]- 303.16929 178.0
[M+NH4]+ 322.21039 195.7
[M+K]+ 343.13973 171.1
[M+H-H2O]+ 287.17383 175.8
[M+HCOO]- 349.17477 193.8
[M+CH3COO]- 363.19042 207.2
[M+Na-2H]- 325.15124 178.1
[M]+ 304.17602 199.1
[M]- 304.17712 199.1
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

patents stripe