CID 2736135

195136-46-0

Structural Information

Molecular Formula
C9H5ClF6
SMILES
C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)CCl
InChI
InChI=1S/C9H5ClF6/c10-4-5-1-2-6(8(11,12)13)3-7(5)9(14,15)16/h1-3H,4H2
InChIKey
DPKQSESRNWBUFZ-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-2,4-bis(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

261.99838 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.00566 166.4
[M+Na]+ 284.98760 172.5
[M+NH4]+ 280.03220 169.3
[M+K]+ 300.96154 167.5
[M-H]- 260.99110 160.3
[M+Na-2H]- 282.97305 167.6
[M]+ 261.99783 165.4
[M]- 261.99893 165.4
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