CID 166000878

2-(bromomethyl)-6-iodo-3,4-dihydro-2h-1-benzopyran

Structural Information

Molecular Formula
C10H10BrIO
SMILES
C1CC2=C(C=CC(=C2)I)OC1CBr
InChI
InChI=1S/C10H10BrIO/c11-6-9-3-1-7-5-8(12)2-4-10(7)13-9/h2,4-5,9H,1,3,6H2
InChIKey
JWMNPDISUKCABB-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-6-iodo-3,4-dihydro-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.89597 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.90325 152.6
[M+Na]+ 374.88519 156.6
[M-H]- 350.88869 153.0
[M+NH4]+ 369.92979 168.8
[M+K]+ 390.85913 152.8
[M+H-H2O]+ 334.89323 149.2
[M+HCOO]- 396.89417 165.9
[M+CH3COO]- 410.90982 197.3
[M+Na-2H]- 372.87064 149.8
[M]+ 351.89542 166.8
[M]- 351.89652 166.8
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.