CID 73886

Dtxsid401298329

Structural Information

Molecular Formula
C7H11Br
SMILES
C1CC1C=CCCBr
InChI
InChI=1S/C7H11Br/c8-6-2-1-3-7-4-5-7/h1,3,7H,2,4-6H2
InChIKey
KFBVGNXBGNALRF-UHFFFAOYSA-N
Compound name
4-bromobut-1-enylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.00441 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.011686 132.4
[M+Na]+ 196.993628 145.1
[M-H]- 172.997134 139.5
[M+NH4]+ 192.038233 151.8
[M+K]+ 212.967568 133.9
[M+H-H2O]+ 157.001670 132.2
[M+HCOO]- 219.002611 154.1
[M+CH3COO]- 233.018261 181.6
[M+Na-2H]- 194.979076 140.5
[M]+ 174.00386142 151.9
[M]- 174.00495858 151.9
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

No patent data available for this compound.