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 135.2
[M+Na]+ 207.01833 145.3
[M-H]- 183.02183 139.3
[M+NH4]+ 202.06293 157.2
[M+K]+ 222.99227 142.0
[M+H-H2O]+ 167.02637 131.5
[M+HCOO]- 229.02731 152.4
[M+CH3COO]- 243.04296 176.5
[M+Na-2H]- 205.00378 141.7
[M]+ 184.02856 137.6
[M]- 184.02966 137.6
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