CID 2736948

2,4-difluorobenzyl chloride

Structural Information

Molecular Formula
C7H5ClF2
SMILES
C1=CC(=C(C=C1F)F)CCl
InChI
InChI=1S/C7H5ClF2/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4H2
InChIKey
XPGHWBDZNQUUQD-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-2,4-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

364
Patents

162.00479 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.01207 126.9
[M+Na]+ 184.99401 140.4
[M+NH4]+ 180.03861 135.7
[M+K]+ 200.96795 132.8
[M-H]- 160.99751 127.2
[M+Na-2H]- 182.97946 134.2
[M]+ 162.00424 129.1
[M]- 162.00534 129.1
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