CID 13574397

4-bromopent-2-yne

Structural Information

Molecular Formula
C5H7Br
SMILES
CC#CC(C)Br
InChI
InChI=1S/C5H7Br/c1-3-4-5(2)6/h5H,1-2H3
InChIKey
OKQTYALBFDHRAM-UHFFFAOYSA-N
Compound name
4-bromopent-2-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

145.97311 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.980386 118.8
[M+Na]+ 168.962328 132.3
[M-H]- 144.965834 120.5
[M+NH4]+ 164.006933 141.2
[M+K]+ 184.936268 122.2
[M+H-H2O]+ 128.970370 114.2
[M+HCOO]- 190.971311 136.7
[M+CH3COO]- 204.986961 183.0
[M+Na-2H]- 166.947776 126.1
[M]+ 145.97256142 130.1
[M]- 145.97365858 130.1
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