CID 2736954

3,4-difluorobenzyl chloride

Structural Information

Molecular Formula
C7H5ClF2
SMILES
C1=CC(=C(C=C1CCl)F)F
InChI
InChI=1S/C7H5ClF2/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2
InChIKey
VTGRVYJPIVZZGS-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-1,2-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

455
Patents

162.00479 Da
Monoisotopic Mass

2.5
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

No literature data available for this compound.

Patent stripe

patents stripe