CID 165693659

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

Structural Information

Molecular Formula
C10H10BrF
SMILES
C1CC2=C(C1)C(=C(C=C2)CBr)F
InChI
InChI=1S/C10H10BrF/c11-6-8-5-4-7-2-1-3-9(7)10(8)12/h4-5H,1-3,6H2
InChIKey
KHRGGHQMSDDMON-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-4-fluoro-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.995 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.00228 145.4
[M+Na]+ 250.98422 157.9
[M-H]- 226.98772 151.5
[M+NH4]+ 246.02882 170.2
[M+K]+ 266.95816 146.4
[M+H-H2O]+ 210.99226 145.7
[M+HCOO]- 272.99320 165.5
[M+CH3COO]- 287.00885 187.3
[M+Na-2H]- 248.96967 151.3
[M]+ 227.99445 162.0
[M]- 227.99555 162.0
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.