CID 59201645

4-bromooxepane

Structural Information

Molecular Formula
C6H11BrO
SMILES
C1CC(CCOC1)Br
InChI
InChI=1S/C6H11BrO/c7-6-2-1-4-8-5-3-6/h6H,1-5H2
InChIKey
OQXUHHBEGCYJID-UHFFFAOYSA-N
Compound name
4-bromooxepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

177.99933 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.00661 125.9
[M+Na]+ 200.98855 132.7
[M-H]- 176.99205 132.7
[M+NH4]+ 196.03315 146.4
[M+K]+ 216.96249 128.6
[M+H-H2O]+ 160.99659 127.1
[M+HCOO]- 222.99753 143.3
[M+CH3COO]- 237.01318 178.7
[M+Na-2H]- 198.97400 134.2
[M]+ 177.99878 137.2
[M]- 177.99988 137.2
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