CID 214996

Tetrajodterephthalsaure-mono-aethylamid [german]

Structural Information

Molecular Formula
C10H7I4NO3
SMILES
CCNC(=O)C1=C(C(=C(C(=C1I)I)C(=O)O)I)I
InChI
InChI=1S/C10H7I4NO3/c1-2-15-9(16)3-5(11)7(13)4(10(17)18)8(14)6(3)12/h2H2,1H3,(H,15,16)(H,17,18)
InChIKey
ZMTCWFCOFLWIPI-UHFFFAOYSA-N
Compound name
4-(ethylcarbamoyl)-2,3,5,6-tetraiodobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

696.6605 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 697.66778 174.9
[M+Na]+ 719.64972 161.1
[M-H]- 695.65322 167.4
[M+NH4]+ 714.69432 173.6
[M+K]+ 735.62366 175.4
[M+H-H2O]+ 679.65776 164.4
[M+HCOO]- 741.65870 175.3
[M+CH3COO]- 755.67435 240.5
[M+Na-2H]- 717.63517 157.0
[M]+ 696.65995 169.5
[M]- 696.66105 169.5
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.