CID 7020611

2-hydroxy-5-iodo-3-methoxybenzaldehyde

Structural Information

Molecular Formula
C8H7IO3
SMILES
COC1=CC(=CC(=C1O)C=O)I
InChI
InChI=1S/C8H7IO3/c1-12-7-3-6(9)2-5(4-10)8(7)11/h2-4,11H,1H3
InChIKey
KVQIQUILJIOMHJ-UHFFFAOYSA-N
Compound name
2-hydroxy-5-iodo-3-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

277.944 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.95128 142.6
[M+Na]+ 300.93322 145.4
[M-H]- 276.93672 138.8
[M+NH4]+ 295.97782 157.9
[M+K]+ 316.90716 149.4
[M+H-H2O]+ 260.94126 133.8
[M+HCOO]- 322.94220 161.3
[M+CH3COO]- 336.95785 186.0
[M+Na-2H]- 298.91867 135.9
[M]+ 277.94345 142.3
[M]- 277.94455 142.3
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