CID 139015927

3-bromo-1-fluoronaphthalene-2-carboxylic acid

Structural Information

Molecular Formula
C11H6BrFO2
SMILES
C1=CC=C2C(=C1)C=C(C(=C2F)C(=O)O)Br
InChI
InChI=1S/C11H6BrFO2/c12-8-5-6-3-1-2-4-7(6)10(13)9(8)11(14)15/h1-5H,(H,14,15)
InChIKey
ANIXUKXVUIPENG-UHFFFAOYSA-N
Compound name
3-bromo-1-fluoronaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.95352 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.960796 148.2
[M+Na]+ 290.942738 161.1
[M-H]- 266.946244 153.5
[M+NH4]+ 285.987343 169.0
[M+K]+ 306.916678 149.2
[M+H-H2O]+ 250.950780 147.9
[M+HCOO]- 312.951721 166.6
[M+CH3COO]- 326.967371 192.3
[M+Na-2H]- 288.928186 154.8
[M]+ 267.95297142 165.9
[M]- 267.95406858 165.9
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

No patent data available for this compound.