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

125
Patents

169.02943 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.036706 130.5
[M+Na]+ 192.018648 139.1
[M-H]- 168.022154 132.6
[M+NH4]+ 187.063253 149.6
[M+K]+ 207.992588 135.8
[M+H-H2O]+ 152.026690 125.1
[M+HCOO]- 214.027631 144.3
[M+CH3COO]- 228.043281 143.5
[M+Na-2H]- 190.004096 139.7
[M]+ 169.02888142 129.0
[M]- 169.02997858 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