CID 521357

2h-1,3-benzoxazine, 6-chloro-3,4-dihydro-3-phenyl-

Structural Information

Molecular Formula
C14H12ClNO
SMILES
C1C2=C(C=CC(=C2)Cl)OCN1C3=CC=CC=C3
InChI
InChI=1S/C14H12ClNO/c15-12-6-7-14-11(8-12)9-16(10-17-14)13-4-2-1-3-5-13/h1-8H,9-10H2
InChIKey
ANDMOXODDHVMFN-UHFFFAOYSA-N
Compound name
6-chloro-3-phenyl-2,4-dihydro-1,3-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

245.06075 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.068026 152.1
[M+Na]+ 268.049968 160.9
[M-H]- 244.053474 158.5
[M+NH4]+ 263.094573 168.5
[M+K]+ 284.023908 156.4
[M+H-H2O]+ 228.058010 144.2
[M+HCOO]- 290.058951 166.7
[M+CH3COO]- 304.074601 164.4
[M+Na-2H]- 266.035416 159.9
[M]+ 245.06020142 152.5
[M]- 245.06129858 152.5
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