CID 64915565

2-(2-bromophenyl)but-3-yn-2-ol

Structural Information

Molecular Formula
C10H9BrO
SMILES
CC(C#C)(C1=CC=CC=C1Br)O
InChI
InChI=1S/C10H9BrO/c1-3-10(2,12)8-6-4-5-7-9(8)11/h1,4-7,12H,2H3
InChIKey
QFPIIHGBCPTSMN-UHFFFAOYSA-N
Compound name
2-(2-bromophenyl)but-3-yn-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.98367 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.990946 143.3
[M+Na]+ 246.972888 156.9
[M-H]- 222.976394 146.0
[M+NH4]+ 242.017493 162.4
[M+K]+ 262.946828 144.4
[M+H-H2O]+ 206.980930 138.2
[M+HCOO]- 268.981871 159.3
[M+CH3COO]- 282.997521 191.8
[M+Na-2H]- 244.958336 149.9
[M]+ 223.98312142 154.0
[M]- 223.98421858 154.0
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

No patent data available for this compound.