CID 70026705

1-bromo-2-cyclopropylethyne

Structural Information

Molecular Formula
C5H5Br
SMILES
C1CC1C#CBr
InChI
InChI=1S/C5H5Br/c6-4-3-5-1-2-5/h5H,1-2H2
InChIKey
OENOXKYUOKUMQB-UHFFFAOYSA-N
Compound name
2-bromoethynylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

143.95746 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.96474 119.6
[M+Na]+ 166.94668 139.0
[M-H]- 142.95018 126.5
[M+NH4]+ 161.99128 139.6
[M+K]+ 182.92062 125.4
[M+H-H2O]+ 126.95472 116.5
[M+HCOO]- 188.95566 140.4
[M+CH3COO]- 202.97131 184.3
[M+Na-2H]- 164.93213 129.6
[M]+ 143.95691 133.6
[M]- 143.95801 133.6
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