CID 10921089

6-bromohexanal

Structural Information

Molecular Formula
C6H11BrO
SMILES
C(CCC=O)CCBr
InChI
InChI=1S/C6H11BrO/c7-5-3-1-2-4-6-8/h6H,1-5H2
InChIKey
SSKLZGVVAYKNSS-UHFFFAOYSA-N
Compound name
6-bromohexanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

282
Patents

177.99933 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.00661 130.7
[M+Na]+ 200.98855 141.7
[M-H]- 176.99205 133.7
[M+NH4]+ 196.03315 154.4
[M+K]+ 216.96249 131.6
[M+H-H2O]+ 160.99659 131.6
[M+HCOO]- 222.99753 152.4
[M+CH3COO]- 237.01318 179.2
[M+Na-2H]- 198.97400 138.9
[M]+ 177.99878 151.0
[M]- 177.99988 151.0
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