CID 165963481

5-(bromomethyl)-3,4-dihydro-1h-2-benzopyran

Structural Information

Molecular Formula
C10H11BrO
SMILES
C1COCC2=C1C(=CC=C2)CBr
InChI
InChI=1S/C10H11BrO/c11-6-8-2-1-3-9-7-12-5-4-10(8)9/h1-3H,4-7H2
InChIKey
DQAYZGHRXBEEAC-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-3,4-dihydro-1H-isochromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.99933 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.00661 142.0
[M+Na]+ 248.98855 152.4
[M-H]- 224.99205 149.3
[M+NH4]+ 244.03315 163.6
[M+K]+ 264.96249 143.0
[M+H-H2O]+ 208.99659 142.6
[M+HCOO]- 270.99753 160.3
[M+CH3COO]- 285.01318 157.0
[M+Na-2H]- 246.97400 151.7
[M]+ 225.99878 159.3
[M]- 225.99988 159.3
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.