CID 44250175

80306-38-3

Structural Information

Molecular Formula
C15H12ClNO
SMILES
CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)OC2
InChI
InChI=1S/C15H12ClNO/c1-10-2-4-11(5-3-10)14-9-18-15-8-12(16)6-7-13(15)17-14/h2-8H,9H2,1H3
InChIKey
MVOZLTFXYGHZPM-UHFFFAOYSA-N
Compound name
7-chloro-3-(4-methylphenyl)-2H-1,4-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

13
Patents

257.06073 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.06801 155.8
[M+Na]+ 280.04995 166.2
[M-H]- 256.05345 162.8
[M+NH4]+ 275.09455 172.2
[M+K]+ 296.02389 161.3
[M+H-H2O]+ 240.05799 148.0
[M+HCOO]- 302.05893 171.5
[M+CH3COO]- 316.07458 168.6
[M+Na-2H]- 278.03540 163.4
[M]+ 257.06018 158.4
[M]- 257.06128 158.4
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

patents stripe