CID 10943522

(2-(bromomethyl)phenyl)methanol

Structural Information

Molecular Formula
C8H9BrO
SMILES
C1=CC=C(C(=C1)CO)CBr
InChI
InChI=1S/C8H9BrO/c9-5-7-3-1-2-4-8(7)6-10/h1-4,10H,5-6H2
InChIKey
JDBQNNKIOFSPOA-UHFFFAOYSA-N
Compound name
[2-(bromomethyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

199.98367 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.99095 133.9
[M+Na]+ 222.97289 137.9
[M+NH4]+ 218.01749 139.5
[M+K]+ 238.94683 137.2
[M-H]- 198.97639 134.8
[M+Na-2H]- 220.95834 138.3
[M]+ 199.98312 133.6
[M]- 199.98422 133.6
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

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