CID 11275630

1,3-dibromoprop-1-yne

Structural Information

Molecular Formula
C3H2Br2
SMILES
C(C#CBr)Br
InChI
InChI=1S/C3H2Br2/c4-2-1-3-5/h2H2
InChIKey
DWKIXODUXSEILO-UHFFFAOYSA-N
Compound name
1,3-dibromoprop-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

195.85233 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.85961 107.4
[M+Na]+ 218.84155 121.3
[M-H]- 194.84505 109.4
[M+NH4]+ 213.88615 127.7
[M+K]+ 234.81549 106.3
[M+H-H2O]+ 178.84959 111.0
[M+HCOO]- 240.85053 124.2
[M+CH3COO]- 254.86618 195.8
[M+Na-2H]- 216.82700 117.1
[M]+ 195.85178 133.5
[M]- 195.85288 133.5
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