CID 4219594

2,5-dibromo-3,4-diiodothiophene

Structural Information

Molecular Formula
C4Br2I2S
SMILES
C1(=C(SC(=C1I)Br)Br)I
InChI
InChI=1S/C4Br2I2S/c5-3-1(7)2(8)4(6)9-3
InChIKey
CQAHAVGEEKTJQY-UHFFFAOYSA-N
Compound name
2,5-dibromo-3,4-diiodothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

491.61768 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.62496 135.1
[M+Na]+ 514.60690 137.2
[M-H]- 490.61040 133.3
[M+NH4]+ 509.65150 147.9
[M+K]+ 530.58084 133.2
[M+H-H2O]+ 474.61494 137.3
[M+HCOO]- 536.61588 141.6
[M+CH3COO]- 550.63153 215.9
[M+Na-2H]- 512.59235 126.8
[M]+ 491.61713 159.7
[M]- 491.61823 159.7
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