CID 39870235

1110927-80-4

Structural Information

Molecular Formula
C10H8BrNO4
SMILES
C1C(=O)N(C2=C(O1)C=C(C=C2)Br)CC(=O)O
InChI
InChI=1S/C10H8BrNO4/c11-6-1-2-7-8(3-6)16-5-9(13)12(7)4-10(14)15/h1-3H,4-5H2,(H,14,15)
InChIKey
UUWOVWVQECOEPY-UHFFFAOYSA-N
Compound name
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.96368 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.97096 150.6
[M+Na]+ 307.95290 161.9
[M-H]- 283.95640 155.8
[M+NH4]+ 302.99750 167.9
[M+K]+ 323.92684 152.3
[M+H-H2O]+ 267.96094 150.1
[M+HCOO]- 329.96188 166.0
[M+CH3COO]- 343.97753 193.5
[M+Na-2H]- 305.93835 157.5
[M]+ 284.96313 169.6
[M]- 284.96423 169.6
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.