CID 98041719

3-(bromomethyl)-5-fluorobenzaldehyde

Structural Information

Molecular Formula
C8H6BrFO
SMILES
C1=C(C=C(C=C1C=O)F)CBr
InChI
InChI=1S/C8H6BrFO/c9-4-6-1-7(5-11)3-8(10)2-6/h1-3,5H,4H2
InChIKey
KTRILTQPYHNWMJ-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-5-fluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.9586 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.965876 134.4
[M+Na]+ 238.947818 147.4
[M-H]- 214.951324 140.0
[M+NH4]+ 233.992423 156.9
[M+K]+ 254.921758 136.3
[M+H-H2O]+ 198.955860 134.3
[M+HCOO]- 260.956801 156.1
[M+CH3COO]- 274.972451 184.9
[M+Na-2H]- 236.933266 142.1
[M]+ 215.95805142 152.8
[M]- 215.95914858 152.8
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.