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

5
Patents

184.02911 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.036386 135.2
[M+Na]+ 207.018328 145.3
[M-H]- 183.021834 139.3
[M+NH4]+ 202.062933 157.2
[M+K]+ 222.992268 142.0
[M+H-H2O]+ 167.026370 131.5
[M+HCOO]- 229.027311 152.4
[M+CH3COO]- 243.042961 176.5
[M+Na-2H]- 205.003776 141.7
[M]+ 184.02856142 137.6
[M]- 184.02965858 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