CID 139015927

2344679-80-5

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]+ 268.96080 148.2
[M+Na]+ 290.94274 161.1
[M-H]- 266.94624 153.5
[M+NH4]+ 285.98734 169.0
[M+K]+ 306.91668 149.2
[M+H-H2O]+ 250.95078 147.9
[M+HCOO]- 312.95172 166.6
[M+CH3COO]- 326.96737 192.3
[M+Na-2H]- 288.92819 154.8
[M]+ 267.95297 165.9
[M]- 267.95407 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.