CID 12117575

5-bromopent-1-yne

Structural Information

Molecular Formula
C5H7Br
SMILES
C#CCCCBr
InChI
InChI=1S/C5H7Br/c1-2-3-4-5-6/h1H,3-5H2
InChIKey
KEKBNXAJNJSILY-UHFFFAOYSA-N
Compound name
5-bromopent-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

569
Patents

145.97311 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.98039 117.0
[M+Na]+ 168.96233 130.7
[M-H]- 144.96583 118.6
[M+NH4]+ 164.00693 139.4
[M+K]+ 184.93627 120.3
[M+H-H2O]+ 128.97037 112.5
[M+HCOO]- 190.97131 135.8
[M+CH3COO]- 204.98696 182.9
[M+Na-2H]- 166.94778 125.5
[M]+ 145.97256 129.0
[M]- 145.97366 129.0
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