CID 4093342

1,2-diiodo-4,5-dimethoxybenzene

Structural Information

Molecular Formula
C8H8I2O2
SMILES
COC1=CC(=C(C=C1OC)I)I
InChI
InChI=1S/C8H8I2O2/c1-11-7-3-5(9)6(10)4-8(7)12-2/h3-4H,1-2H3
InChIKey
FFMFMRCSTBQCTI-UHFFFAOYSA-N
Compound name
1,2-diiodo-4,5-dimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

75
Patents

389.86136 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.86864 148.2
[M+Na]+ 412.85058 143.0
[M-H]- 388.85408 140.3
[M+NH4]+ 407.89518 157.8
[M+K]+ 428.82452 153.5
[M+H-H2O]+ 372.85862 136.8
[M+HCOO]- 434.85956 160.9
[M+CH3COO]- 448.87521 204.3
[M+Na-2H]- 410.83603 135.8
[M]+ 389.86081 146.3
[M]- 389.86191 146.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe