CID 126973945

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

Structural Information

Molecular Formula
C10H11ClO
SMILES
C1CC2=C(C(=CC=C2)CCl)OC1
InChI
InChI=1S/C10H11ClO/c11-7-9-4-1-3-8-5-2-6-12-10(8)9/h1,3-4H,2,5-7H2
InChIKey
OWJLUAIJJPRKQX-UHFFFAOYSA-N
Compound name
8-(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]+ 183.057116 135.0
[M+Na]+ 205.039058 143.2
[M-H]- 181.042564 139.7
[M+NH4]+ 200.083663 155.6
[M+K]+ 221.012998 140.3
[M+H-H2O]+ 165.047100 130.1
[M+HCOO]- 227.048041 151.0
[M+CH3COO]- 241.063691 148.6
[M+Na-2H]- 203.024506 143.6
[M]+ 182.04929142 135.6
[M]- 182.05038858 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.