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

143
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 130.5
[M+Na]+ 192.01865 139.1
[M-H]- 168.02215 132.6
[M+NH4]+ 187.06325 149.6
[M+K]+ 207.99259 135.8
[M+H-H2O]+ 152.02669 125.1
[M+HCOO]- 214.02763 144.3
[M+CH3COO]- 228.04328 143.5
[M+Na-2H]- 190.00410 139.7
[M]+ 169.02888 129.0
[M]- 169.02998 129.0
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