CID 15716192

2-bromo-5-methylhexane

Structural Information

Molecular Formula
C7H15Br
SMILES
CC(C)CCC(C)Br
InChI
InChI=1S/C7H15Br/c1-6(2)4-5-7(3)8/h6-7H,4-5H2,1-3H3
InChIKey
FLXWXUODAGCSPP-UHFFFAOYSA-N
Compound name
2-bromo-5-methylhexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

178.0357 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.04298 135.8
[M+Na]+ 201.02492 145.8
[M-H]- 177.02842 138.9
[M+NH4]+ 196.06952 159.6
[M+K]+ 216.99886 136.3
[M+H-H2O]+ 161.03296 136.7
[M+HCOO]- 223.03390 154.9
[M+CH3COO]- 237.04955 182.7
[M+Na-2H]- 199.01037 141.0
[M]+ 178.03515 154.5
[M]- 178.03625 154.5
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