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]+ 216.96588 134.4
[M+Na]+ 238.94782 147.4
[M-H]- 214.95132 140.0
[M+NH4]+ 233.99242 156.9
[M+K]+ 254.92176 136.3
[M+H-H2O]+ 198.95586 134.3
[M+HCOO]- 260.95680 156.1
[M+CH3COO]- 274.97245 184.9
[M+Na-2H]- 236.93327 142.1
[M]+ 215.95805 152.8
[M]- 215.95915 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.