CID 54595313

7-fluoro-2-methyl-3,4-dihydro-2h-1,4-benzoxazine

Structural Information

Molecular Formula
C9H10FNO
SMILES
CC1CNC2=C(O1)C=C(C=C2)F
InChI
InChI=1S/C9H10FNO/c1-6-5-11-8-3-2-7(10)4-9(8)12-6/h2-4,6,11H,5H2,1H3
InChIKey
TUCOPQDVSOYYQZ-UHFFFAOYSA-N
Compound name
7-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

167.07465 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.081926 132.1
[M+Na]+ 190.063868 140.6
[M-H]- 166.067374 133.3
[M+NH4]+ 185.108473 150.7
[M+K]+ 206.037808 138.3
[M+H-H2O]+ 150.071910 125.1
[M+HCOO]- 212.072851 149.2
[M+CH3COO]- 226.088501 144.9
[M+Na-2H]- 188.049316 140.0
[M]+ 167.07410142 128.3
[M]- 167.07519858 128.3
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