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]+ 210.975306 134.2
[M+Na]+ 232.957248 148.7
[M-H]- 208.960754 137.2
[M+NH4]+ 228.001853 154.0
[M+K]+ 248.931188 136.1
[M+H-H2O]+ 192.965290 129.1
[M+HCOO]- 254.966231 152.0
[M+CH3COO]- 268.981881 190.0
[M+Na-2H]- 230.942696 140.7
[M]+ 209.96748142 145.5
[M]- 209.96857858 145.5
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.