CID 98324

37603-11-5

Structural Information

Molecular Formula
C9H8BrFO
SMILES
C1C(OC2=C1C=C(C=C2)F)CBr
InChI
InChI=1S/C9H8BrFO/c10-5-8-4-6-3-7(11)1-2-9(6)12-8/h1-3,8H,4-5H2
InChIKey
LWMNGWOYGHJPHQ-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-5-fluoro-2,3-dihydro-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

229.97426 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.981536 143.8
[M+Na]+ 252.963478 156.7
[M-H]- 228.966984 150.7
[M+NH4]+ 248.008083 167.4
[M+K]+ 268.937418 146.9
[M+H-H2O]+ 212.971520 144.3
[M+HCOO]- 274.972461 163.5
[M+CH3COO]- 288.988111 186.3
[M+Na-2H]- 250.948926 151.1
[M]+ 229.97371142 162.1
[M]- 229.97480858 162.1
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