CID 25219794

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

Structural Information

Molecular Formula
C9H10ClNO
SMILES
CC1CNC2=C(O1)C=CC(=C2)Cl
InChI
InChI=1S/C9H10ClNO/c1-6-5-11-8-4-7(10)2-3-9(8)12-6/h2-4,6,11H,5H2,1H3
InChIKey
CEDHFNZEZCCEMX-UHFFFAOYSA-N
Compound name
6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

183.04509 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.052366 135.4
[M+Na]+ 206.034308 144.6
[M-H]- 182.037814 137.7
[M+NH4]+ 201.078913 154.3
[M+K]+ 222.008248 141.0
[M+H-H2O]+ 166.042350 130.0
[M+HCOO]- 228.043291 148.9
[M+CH3COO]- 242.058941 148.4
[M+Na-2H]- 204.019756 143.3
[M]+ 183.04454142 134.7
[M]- 183.04563858 134.7
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