CID 16227699

6-bromo-2h-chromene-3-carboxylic acid

Structural Information

Molecular Formula
C10H7BrO3
SMILES
C1C(=CC2=C(O1)C=CC(=C2)Br)C(=O)O
InChI
InChI=1S/C10H7BrO3/c11-8-1-2-9-6(4-8)3-7(5-14-9)10(12)13/h1-4H,5H2,(H,12,13)
InChIKey
NXMIFPOLKMLPLG-UHFFFAOYSA-N
Compound name
6-bromo-2H-chromene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

253.95786 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.96514 145.2
[M+Na]+ 276.94708 156.5
[M-H]- 252.95058 151.8
[M+NH4]+ 271.99168 164.9
[M+K]+ 292.92102 146.9
[M+H-H2O]+ 236.95512 145.6
[M+HCOO]- 298.95606 162.8
[M+CH3COO]- 312.97171 188.2
[M+Na-2H]- 274.93253 153.5
[M]+ 253.95731 163.9
[M]- 253.95841 163.9
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