CID 132427831

2138166-16-0

Structural Information

Molecular Formula
C10H8BrNO4
SMILES
C1COC2=C(C=C(C=C2Br)C(=O)O)C(=O)N1
InChI
InChI=1S/C10H8BrNO4/c11-7-4-5(10(14)15)3-6-8(7)16-2-1-12-9(6)13/h3-4H,1-2H2,(H,12,13)(H,14,15)
InChIKey
UHGGLIKPXDQJTP-UHFFFAOYSA-N
Compound name
9-bromo-5-oxo-3,4-dihydro-2H-1,4-benzoxazepine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.96368 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.97096 146.5
[M+Na]+ 307.95290 155.6
[M-H]- 283.95640 151.5
[M+NH4]+ 302.99750 162.1
[M+K]+ 323.92684 150.3
[M+H-H2O]+ 267.96094 146.6
[M+HCOO]- 329.96188 160.2
[M+CH3COO]- 343.97753 192.6
[M+Na-2H]- 305.93835 152.7
[M]+ 284.96313 159.8
[M]- 284.96423 159.8
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.