CID 5383024

Nsc159584

Structural Information

Molecular Formula
C10H8Br3NO2
SMILES
C/C(=C/C1=C(C(=C(C=C1Br)Br)N)Br)/C(=O)O
InChI
InChI=1S/C10H8Br3NO2/c1-4(10(15)16)2-5-6(11)3-7(12)9(14)8(5)13/h2-3H,14H2,1H3,(H,15,16)/b4-2-
InChIKey
SBNZUKHVVNNXMZ-RQOWECAXSA-N
Compound name
(Z)-3-(3-amino-2,4,6-tribromophenyl)-2-methylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.81052 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.81780 153.3
[M+Na]+ 433.79974 160.3
[M-H]- 409.80324 157.5
[M+NH4]+ 428.84434 165.9
[M+K]+ 449.77368 143.4
[M+H-H2O]+ 393.80778 166.1
[M+HCOO]- 455.80872 161.6
[M+CH3COO]- 469.82437 225.9
[M+Na-2H]- 431.78519 154.7
[M]+ 410.80997 192.2
[M]- 410.81107 192.2
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.