CID 65439177

Refchem:405306

Structural Information

Molecular Formula
C10H9ClO2
SMILES
CC1=C2C=C(OC2=C(C=C1)Cl)CO
InChI
InChI=1S/C10H9ClO2/c1-6-2-3-9(11)10-8(6)4-7(5-12)13-10/h2-4,12H,5H2,1H3
InChIKey
QVAAGYUUQAYEBA-UHFFFAOYSA-N
Compound name
(7-chloro-4-methyl-1-benzofuran-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.02911 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.03639 136.7
[M+Na]+ 219.01833 149.4
[M-H]- 195.02183 141.9
[M+NH4]+ 214.06293 158.9
[M+K]+ 234.99227 145.6
[M+H-H2O]+ 179.02637 133.1
[M+HCOO]- 241.02731 156.5
[M+CH3COO]- 255.04296 180.1
[M+Na-2H]- 217.00378 143.9
[M]+ 196.02856 142.9
[M]- 196.02966 142.9
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.