CID 130160286

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

Structural Information

Molecular Formula
C7H4ClF3
SMILES
C1=C(C=C(C(=C1CCl)F)F)F
InChI
InChI=1S/C7H4ClF3/c8-3-4-1-5(9)2-6(10)7(4)11/h1-2H,3H2
InChIKey
GUCWYIVGQZRLNJ-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-2,3,5-trifluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
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 125.4
[M+Na]+ 202.98458 137.4
[M-H]- 178.98808 125.9
[M+NH4]+ 198.02918 147.0
[M+K]+ 218.95852 132.8
[M+H-H2O]+ 162.99262 118.9
[M+HCOO]- 224.99356 142.9
[M+CH3COO]- 239.00921 181.0
[M+Na-2H]- 200.97003 130.6
[M]+ 179.99481 124.2
[M]- 179.99591 124.2
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