CID 75480545

(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanol

Structural Information

Molecular Formula
C9H9ClO2
SMILES
C1COC2=C1C=C(C=C2CO)Cl
InChI
InChI=1S/C9H9ClO2/c10-8-3-6-1-2-12-9(6)7(4-8)5-11/h3-4,11H,1-2,5H2
InChIKey
ROOKXKYVLQHALV-UHFFFAOYSA-N
Compound name
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

184.02911 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.03639 133.2
[M+Na]+ 207.01833 146.7
[M+NH4]+ 202.06293 143.1
[M+K]+ 222.99227 141.8
[M-H]- 183.02183 136.6
[M+Na-2H]- 205.00378 138.4
[M]+ 184.02856 136.4
[M]- 184.02966 136.4
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