CID 304374

N-(1-naphthyl)tetrabromophthalamic acid

Structural Information

Molecular Formula
C18H9Br4NO3
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=C(C(=C(C(=C3Br)Br)Br)Br)C(=O)O
InChI
InChI=1S/C18H9Br4NO3/c19-13-11(12(18(25)26)14(20)16(22)15(13)21)17(24)23-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,23,24)(H,25,26)
InChIKey
JWPBFQCSPZQAFH-UHFFFAOYSA-N
Compound name
2,3,4,5-tetrabromo-6-(naphthalen-1-ylcarbamoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

602.73157 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 603.73885 174.2
[M+Na]+ 625.72079 177.9
[M-H]- 601.72429 178.4
[M+NH4]+ 620.76539 181.4
[M+K]+ 641.69473 165.9
[M+H-H2O]+ 585.72883 190.7
[M+HCOO]- 647.72977 177.9
[M+CH3COO]- 661.74542 246.0
[M+Na-2H]- 623.70624 173.9
[M]+ 602.73102 212.0
[M]- 602.73212 212.0
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.