CID 137521535

1,5-dibromopent-1-yne

Structural Information

Molecular Formula
C5H6Br2
SMILES
C(CC#CBr)CBr
InChI
InChI=1S/C5H6Br2/c6-4-2-1-3-5-7/h1-2,4H2
InChIKey
CXDCDGUOGSARMT-UHFFFAOYSA-N
Compound name
1,5-dibromopent-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

223.88364 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.89092 114.7
[M+Na]+ 246.87286 127.9
[M-H]- 222.87636 116.4
[M+NH4]+ 241.91746 134.2
[M+K]+ 262.84680 112.5
[M+H-H2O]+ 206.88090 117.9
[M+HCOO]- 268.88184 131.0
[M+CH3COO]- 282.89749 199.8
[M+Na-2H]- 244.85831 123.5
[M]+ 223.88309 141.3
[M]- 223.88419 141.3
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