CID 81222714

4-(bromomethyl)-3-fluorobenzamide

Structural Information

Molecular Formula
C8H7BrFNO
SMILES
C1=CC(=C(C=C1C(=O)N)F)CBr
InChI
InChI=1S/C8H7BrFNO/c9-4-6-2-1-5(8(11)12)3-7(6)10/h1-3H,4H2,(H2,11,12)
InChIKey
XCVZLKJBFRDHMR-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-3-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

230.9695 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.976776 140.4
[M+Na]+ 253.958718 152.1
[M-H]- 229.962224 145.2
[M+NH4]+ 249.003323 161.5
[M+K]+ 269.932658 140.5
[M+H-H2O]+ 213.966760 139.2
[M+HCOO]- 275.967701 161.3
[M+CH3COO]- 289.983351 189.5
[M+Na-2H]- 251.944166 145.8
[M]+ 230.96895142 156.3
[M]- 230.97004858 156.3
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

patents stripe