CID 3045420

Brn 3076671

Structural Information

Molecular Formula
C18H12Br6N2O2
SMILES
C1CC(C1)(C(=O)NC2=C(C=C(C=C2Br)Br)Br)C(=O)NC3=C(C=C(C=C3Br)Br)Br
InChI
InChI=1S/C18H12Br6N2O2/c19-8-4-10(21)14(11(22)5-8)25-16(27)18(2-1-3-18)17(28)26-15-12(23)6-9(20)7-13(15)24/h4-7H,1-3H2,(H,25,27)(H,26,28)
InChIKey
UKXAQGQHPGBMAE-UHFFFAOYSA-N
Compound name
1-N,1-N'-bis(2,4,6-tribromophenyl)cyclobutane-1,1-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

761.5999 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 762.60718 188.6
[M+Na]+ 784.58912 196.5
[M-H]- 760.59262 192.3
[M+NH4]+ 779.63372 192.9
[M+K]+ 800.56306 186.7
[M+H-H2O]+ 744.59716 200.9
[M+HCOO]- 806.59810 190.5
[M+CH3COO]- 820.61375 253.5
[M+Na-2H]- 782.57457 185.6
[M]+ 761.59935 209.1
[M]- 761.60045 209.1
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.