CID 12510544

70558-11-1

Structural Information

Molecular Formula
C8H8ClNO
SMILES
C1COC2=C(N1)C=C(C=C2)Cl
InChI
InChI=1S/C8H8ClNO/c9-6-1-2-8-7(5-6)10-3-4-11-8/h1-2,5,10H,3-4H2
InChIKey
WMVHXRNLZBQWFK-UHFFFAOYSA-N
Compound name
6-chloro-3,4-dihydro-2H-1,4-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

169.02943 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.03671 130.6
[M+Na]+ 192.01865 145.3
[M+NH4]+ 187.06325 140.7
[M+K]+ 207.99259 138.0
[M-H]- 168.02215 134.4
[M+Na-2H]- 190.00410 137.3
[M]+ 169.02888 134.1
[M]- 169.02998 134.1
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