CID 14111640

118559-18-5

Structural Information

Molecular Formula
C8H4ClF5
SMILES
C1=CC=C(C(=C1)C(C(F)(F)F)(F)F)Cl
InChI
InChI=1S/C8H4ClF5/c9-6-4-2-1-3-5(6)7(10,11)8(12,13)14/h1-4H
InChIKey
HUMIYBNCUJBVFG-UHFFFAOYSA-N
Compound name
1-chloro-2-(1,1,2,2,2-pentafluoroethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.99217 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.99945 137.0
[M+Na]+ 252.98139 147.8
[M-H]- 228.98489 134.7
[M+NH4]+ 248.02599 156.1
[M+K]+ 268.95533 142.8
[M+H-H2O]+ 212.98943 128.8
[M+HCOO]- 274.99037 148.9
[M+CH3COO]- 289.00602 187.6
[M+Na-2H]- 250.96684 143.1
[M]+ 229.99162 131.8
[M]- 229.99272 131.8
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

No patent data available for this compound.