CID 75355767

8-chloro-2-ethyl-3,4-dihydro-2h-1,4-benzoxazine

Structural Information

Molecular Formula
C10H12ClNO
SMILES
CCC1CNC2=C(O1)C(=CC=C2)Cl
InChI
InChI=1S/C10H12ClNO/c1-2-7-6-12-9-5-3-4-8(11)10(9)13-7/h3-5,7,12H,2,6H2,1H3
InChIKey
ITEJHFNAMVPAFK-UHFFFAOYSA-N
Compound name
8-chloro-2-ethyl-3,4-dihydro-2H-1,4-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.06075 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.06803 140.2
[M+Na]+ 220.04997 148.9
[M-H]- 196.05347 142.3
[M+NH4]+ 215.09457 158.4
[M+K]+ 236.02391 145.0
[M+H-H2O]+ 180.05801 134.5
[M+HCOO]- 242.05895 153.3
[M+CH3COO]- 256.07460 152.6
[M+Na-2H]- 218.03542 147.5
[M]+ 197.06020 139.8
[M]- 197.06130 139.8
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

No patent data available for this compound.