CID 83825102

(8-bromo-3,4-dihydro-2h-1,4-benzoxazin-2-yl)methanol

Structural Information

Molecular Formula
C9H10BrNO2
SMILES
C1C(OC2=C(N1)C=CC=C2Br)CO
InChI
InChI=1S/C9H10BrNO2/c10-7-2-1-3-8-9(7)13-6(5-12)4-11-8/h1-3,6,11-12H,4-5H2
InChIKey
PDUXLDWXVQZIGV-UHFFFAOYSA-N
Compound name
(8-bromo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.98949 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.99677 145.0
[M+Na]+ 265.97871 155.5
[M-H]- 241.98221 148.6
[M+NH4]+ 261.02331 163.4
[M+K]+ 281.95265 144.8
[M+H-H2O]+ 225.98675 145.0
[M+HCOO]- 287.98769 159.6
[M+CH3COO]- 302.00334 158.4
[M+Na-2H]- 263.96416 153.5
[M]+ 242.98894 160.7
[M]- 242.99004 160.7
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

No patent data available for this compound.