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]+ 224.99095 143.3
[M+Na]+ 246.97289 156.9
[M-H]- 222.97639 146.0
[M+NH4]+ 242.01749 162.4
[M+K]+ 262.94683 144.4
[M+H-H2O]+ 206.98093 138.2
[M+HCOO]- 268.98187 159.3
[M+CH3COO]- 282.99752 191.8
[M+Na-2H]- 244.95834 149.9
[M]+ 223.98312 154.0
[M]- 223.98422 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.