CID 155978488

(2-bromo-5-ethynylphenyl)methanol

Structural Information

Molecular Formula
C9H7BrO
SMILES
C#CC1=CC(=C(C=C1)Br)CO
InChI
InChI=1S/C9H7BrO/c1-2-7-3-4-9(10)8(5-7)6-11/h1,3-5,11H,6H2
InChIKey
VYZAUOAZJYORPC-UHFFFAOYSA-N
Compound name
(2-bromo-5-ethynylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.96803 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.97531 135.8
[M+Na]+ 232.95725 140.5
[M+NH4]+ 228.00185 138.2
[M+K]+ 248.93119 137.0
[M-H]- 208.96075 129.7
[M+Na-2H]- 230.94270 137.4
[M]+ 209.96748 133.1
[M]- 209.96858 133.1
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

No patent data available for this compound.