CID 721045

4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)aniline

Structural Information

Molecular Formula
C14H11ClN2O
SMILES
CC1=CC2=C(C=C1)N=C(O2)C3=C(C=CC(=C3)N)Cl
InChI
InChI=1S/C14H11ClN2O/c1-8-2-5-12-13(6-8)18-14(17-12)10-7-9(16)3-4-11(10)15/h2-7H,16H2,1H3
InChIKey
POZZQIAFABBLQO-UHFFFAOYSA-N
Compound name
4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

258.056 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.06328 156.7
[M+Na]+ 281.04522 169.6
[M-H]- 257.04872 164.6
[M+NH4]+ 276.08982 174.9
[M+K]+ 297.01916 164.1
[M+H-H2O]+ 241.05326 150.0
[M+HCOO]- 303.05420 176.8
[M+CH3COO]- 317.06985 170.8
[M+Na-2H]- 279.03067 162.6
[M]+ 258.05545 161.5
[M]- 258.05655 161.5
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

patents stripe