CID 20538771

75462-58-7

Structural Information

Molecular Formula
C10H6ClF7
SMILES
C1=CC(=CC=C1CCl)C(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C10H6ClF7/c11-5-6-1-3-7(4-2-6)8(12,9(13,14)15)10(16,17)18/h1-4H,5H2
InChIKey
YVFMXVCWQRNPID-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

294.00464 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.01192 152.1
[M+Na]+ 316.99386 162.6
[M-H]- 292.99736 147.2
[M+NH4]+ 312.03846 168.4
[M+K]+ 332.96780 156.8
[M+H-H2O]+ 277.00190 142.0
[M+HCOO]- 339.00284 159.6
[M+CH3COO]- 353.01849 199.3
[M+Na-2H]- 314.97931 156.7
[M]+ 294.00409 144.3
[M]- 294.00519 144.3
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