CID 5272166

2-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenol

Structural Information

Molecular Formula
C14H10ClNO2
SMILES
C1=CC=C(C(=C1)CC2=NC3=C(O2)C=CC(=C3)Cl)O
InChI
InChI=1S/C14H10ClNO2/c15-10-5-6-13-11(8-10)16-14(18-13)7-9-3-1-2-4-12(9)17/h1-6,8,17H,7H2
InChIKey
LDKDLUWMKJQQJO-UHFFFAOYSA-N
Compound name
2-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

259.04 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.04728 154.1
[M+Na]+ 282.02922 166.4
[M-H]- 258.03272 160.8
[M+NH4]+ 277.07382 171.8
[M+K]+ 298.00316 161.1
[M+H-H2O]+ 242.03726 147.6
[M+HCOO]- 304.03820 172.5
[M+CH3COO]- 318.05385 167.9
[M+Na-2H]- 280.01467 161.0
[M]+ 259.03945 159.7
[M]- 259.04055 159.7
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.