CID 79001708

6-fluoro-2,2-dimethyl-3,4-dihydro-2h-benzo[b][1,4]oxazine

Structural Information

Molecular Formula
C10H12FNO
SMILES
CC1(CNC2=C(O1)C=CC(=C2)F)C
InChI
InChI=1S/C10H12FNO/c1-10(2)6-12-8-5-7(11)3-4-9(8)13-10/h3-5,12H,6H2,1-2H3
InChIKey
ZSQKRUQFCIKVBR-UHFFFAOYSA-N
Compound name
6-fluoro-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

181.09029 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.09757 136.6
[M+Na]+ 204.07951 145.7
[M-H]- 180.08301 138.0
[M+NH4]+ 199.12411 156.7
[M+K]+ 220.05345 143.4
[M+H-H2O]+ 164.08755 129.9
[M+HCOO]- 226.08849 153.3
[M+CH3COO]- 240.10414 149.4
[M+Na-2H]- 202.06496 144.9
[M]+ 181.08974 133.5
[M]- 181.09084 133.5
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