CID 17750862

5-(chloromethyl)-1,2,3-trifluorobenzene

Structural Information

Molecular Formula
C7H4ClF3
SMILES
C1=C(C=C(C(=C1F)F)F)CCl
InChI
InChI=1S/C7H4ClF3/c8-3-4-1-5(9)7(11)6(10)2-4/h1-2H,3H2
InChIKey
ALUFGPFDDJIQCW-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-1,2,3-trifluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

179.99536 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.00264 132.8
[M+Na]+ 202.98458 145.0
[M+NH4]+ 198.02918 140.3
[M+K]+ 218.95852 137.9
[M-H]- 178.98808 131.5
[M+Na-2H]- 200.97003 138.6
[M]+ 179.99481 134.3
[M]- 179.99591 134.3
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