CID 2759166

883543-26-8

Structural Information

Molecular Formula
C8H5ClF4
SMILES
C1=CC(=C(C=C1C(F)(F)F)CCl)F
InChI
InChI=1S/C8H5ClF4/c9-4-5-3-6(8(11,12)13)1-2-7(5)10/h1-3H,4H2
InChIKey
OZGWDDBROIXNRQ-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-1-fluoro-4-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

212.00159 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.00887 133.9
[M+Na]+ 234.99081 145.1
[M-H]- 210.99431 132.9
[M+NH4]+ 230.03541 154.0
[M+K]+ 250.96475 140.2
[M+H-H2O]+ 194.99885 126.5
[M+HCOO]- 256.99979 148.4
[M+CH3COO]- 271.01544 185.4
[M+Na-2H]- 232.97626 139.2
[M]+ 212.00104 130.9
[M]- 212.00214 130.9
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