CID 581570

2,6-difluorobenzyl chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

4
References

588
Patents

162.00479 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.01207 123.6
[M+Na]+ 184.99401 134.6
[M-H]- 160.99751 125.2
[M+NH4]+ 180.03861 145.7
[M+K]+ 200.96795 130.5
[M+H-H2O]+ 145.00205 117.9
[M+HCOO]- 207.00299 142.2
[M+CH3COO]- 221.01864 177.0
[M+Na-2H]- 182.97946 130.1
[M]+ 162.00424 123.2
[M]- 162.00534 123.2
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