CID 91800

56315-67-4

Structural Information

Molecular Formula
C11H10Br4N2O3
SMILES
C(CO)N1C2=C(C(=C(C(=C2Br)Br)Br)Br)N(C1=O)CCO
InChI
InChI=1S/C11H10Br4N2O3/c12-5-6(13)8(15)10-9(7(5)14)16(1-3-18)11(20)17(10)2-4-19/h18-19H,1-4H2
InChIKey
WKQKLCTYZKFNTG-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrabromo-1,3-bis(2-hydroxyethyl)benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

176
Patents

533.7425 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 534.749776 152.0
[M+Na]+ 556.731718 158.8
[M-H]- 532.735224 155.1
[M+NH4]+ 551.776323 160.9
[M+K]+ 572.705658 146.0
[M+H-H2O]+ 516.739760 169.8
[M+HCOO]- 578.740701 156.8
[M+CH3COO]- 592.756351 240.2
[M+Na-2H]- 554.717166 154.0
[M]+ 533.74195142 191.8
[M]- 533.74304858 191.8
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

patents stripe