CID 15850139

446-57-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

162.00479 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.012066 123.6
[M+Na]+ 184.994008 134.6
[M-H]- 160.997514 125.2
[M+NH4]+ 180.038613 145.7
[M+K]+ 200.967948 130.5
[M+H-H2O]+ 145.002050 117.9
[M+HCOO]- 207.002991 142.2
[M+CH3COO]- 221.018641 177.0
[M+Na-2H]- 182.979456 130.1
[M]+ 162.00424142 123.2
[M]- 162.00533858 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