CID 3080582

2-benzyl-3-chlorophenol

Structural Information

Molecular Formula
C13H11ClO
SMILES
C1=CC=C(C=C1)CC2=C(C=CC=C2Cl)O
InChI
InChI=1S/C13H11ClO/c14-12-7-4-8-13(15)11(12)9-10-5-2-1-3-6-10/h1-8,15H,9H2
InChIKey
ZAMOVMHWSVVCQD-UHFFFAOYSA-N
Compound name
2-benzyl-3-chlorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

298
Patents

218.04984 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.05712 145.4
[M+Na]+ 241.03906 162.3
[M+NH4]+ 236.08366 155.7
[M+K]+ 257.01300 153.0
[M-H]- 217.04256 150.8
[M+Na-2H]- 239.02451 156.1
[M]+ 218.04929 149.9
[M]- 218.05039 149.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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