CID 83397616

[6-(trifluoromethyl)-3,4-dihydro-2h-1,4-benzoxazin-2-yl]methanol

Structural Information

Molecular Formula
C10H10F3NO2
SMILES
C1C(OC2=C(N1)C=C(C=C2)C(F)(F)F)CO
InChI
InChI=1S/C10H10F3NO2/c11-10(12,13)6-1-2-9-8(3-6)14-4-7(5-15)16-9/h1-3,7,14-15H,4-5H2
InChIKey
AJVKFMRBXWPQPV-UHFFFAOYSA-N
Compound name
[6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.06636 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.07364 147.2
[M+Na]+ 256.05558 155.3
[M-H]- 232.05908 144.2
[M+NH4]+ 251.10018 162.3
[M+K]+ 272.02952 151.9
[M+H-H2O]+ 216.06362 138.6
[M+HCOO]- 278.06456 158.8
[M+CH3COO]- 292.08021 184.3
[M+Na-2H]- 254.04103 153.4
[M]+ 233.06581 140.4
[M]- 233.06691 140.4
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.