CID 69557

653-35-0

Structural Information

Molecular Formula
C7H2ClF5
SMILES
C(C1=C(C(=C(C(=C1F)F)F)F)F)Cl
InChI
InChI=1S/C7H2ClF5/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h1H2
InChIKey
ZLNVRXFZTPRLIK-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-2,3,4,5,6-pentafluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

207
Patents

215.97652 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.98380 129.3
[M+Na]+ 238.96574 143.2
[M-H]- 214.96924 127.8
[M+NH4]+ 234.01034 149.8
[M+K]+ 254.93968 137.8
[M+H-H2O]+ 198.97378 121.4
[M+HCOO]- 260.97472 144.6
[M+CH3COO]- 274.99037 189.1
[M+Na-2H]- 236.95119 132.0
[M]+ 215.97597 126.4
[M]- 215.97707 126.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe