CID 9602

4-fluorobenzyl chloride

Structural Information

Molecular Formula
C7H6ClF
SMILES
C1=CC(=CC=C1CCl)F
InChI
InChI=1S/C7H6ClF/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2
InChIKey
IZXWCDITFDNEBY-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-4-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

4518
Patents

144.0142 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.021476 121.9
[M+Na]+ 167.003418 132.0
[M-H]- 143.006924 124.5
[M+NH4]+ 162.048023 144.6
[M+K]+ 182.977358 128.2
[M+H-H2O]+ 127.011460 117.0
[M+HCOO]- 189.012401 141.5
[M+CH3COO]- 203.028051 173.2
[M+Na-2H]- 164.988866 129.7
[M]+ 144.01365142 122.3
[M]- 144.01474858 122.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe