CID 167718253

7-(chloromethyl)-3,4-dihydro-2h-1-benzopyran

Structural Information

Molecular Formula
C10H11ClO
SMILES
C1CC2=C(C=C(C=C2)CCl)OC1
InChI
InChI=1S/C10H11ClO/c11-7-8-3-4-9-2-1-5-12-10(9)6-8/h3-4,6H,1-2,5,7H2
InChIKey
STHIHLHWUMANJJ-UHFFFAOYSA-N
Compound name
7-(chloromethyl)-3,4-dihydro-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.04984 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.05712 135.0
[M+Na]+ 205.03906 143.2
[M-H]- 181.04256 139.7
[M+NH4]+ 200.08366 155.6
[M+K]+ 221.01300 140.3
[M+H-H2O]+ 165.04710 130.1
[M+HCOO]- 227.04804 151.0
[M+CH3COO]- 241.06369 148.6
[M+Na-2H]- 203.02451 143.6
[M]+ 182.04929 135.6
[M]- 182.05039 135.6
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

No patent data available for this compound.