CID 58893098

Potassium 2-iodo-5-methoxybenzenethiolate

Structural Information

Molecular Formula
C7H7IOS
SMILES
COC1=CC(=C(C=C1)I)S
InChI
InChI=1S/C7H7IOS/c1-9-5-2-3-6(8)7(10)4-5/h2-4,10H,1H3
InChIKey
HHRPQRWGBCLVSZ-UHFFFAOYSA-N
Compound name
2-iodo-5-methoxybenzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

265.92624 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.93352 137.5
[M+Na]+ 288.91546 140.3
[M-H]- 264.91896 135.1
[M+NH4]+ 283.96006 154.5
[M+K]+ 304.88940 144.0
[M+H-H2O]+ 248.92350 128.8
[M+HCOO]- 310.92444 152.5
[M+CH3COO]- 324.94009 185.1
[M+Na-2H]- 286.90091 129.6
[M]+ 265.92569 138.4
[M]- 265.92679 138.4
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