CID 234378

2-(1-bromonaphthalen-2-yl)acetic acid

Structural Information

Molecular Formula
C12H9BrO2
SMILES
C1=CC=C2C(=C1)C=CC(=C2Br)CC(=O)O
InChI
InChI=1S/C12H9BrO2/c13-12-9(7-11(14)15)6-5-8-3-1-2-4-10(8)12/h1-6H,7H2,(H,14,15)
InChIKey
JHNBOCFJSBZMDW-UHFFFAOYSA-N
Compound name
2-(1-bromonaphthalen-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

263.97858 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.98586 149.4
[M+Na]+ 286.96780 160.9
[M-H]- 262.97130 155.4
[M+NH4]+ 282.01240 170.1
[M+K]+ 302.94174 149.2
[M+H-H2O]+ 246.97584 149.7
[M+HCOO]- 308.97678 168.4
[M+CH3COO]- 322.99243 191.5
[M+Na-2H]- 284.95325 156.8
[M]+ 263.97803 168.1
[M]- 263.97913 168.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe