CID 9579

Chloropentafluorobenzene

Structural Information

Molecular Formula
C6ClF5
SMILES
C1(=C(C(=C(C(=C1F)F)Cl)F)F)F
InChI
InChI=1S/C6ClF5/c7-1-2(8)4(10)6(12)5(11)3(1)9
InChIKey
KGCDGLXSBHJAHZ-UHFFFAOYSA-N
Compound name
1-chloro-2,3,4,5,6-pentafluorobenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

1464
Patents

201.96086 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.96814 124.4
[M+Na]+ 224.95008 138.7
[M-H]- 200.95358 123.1
[M+NH4]+ 219.99468 145.5
[M+K]+ 240.92402 133.6
[M+H-H2O]+ 184.95812 116.7
[M+HCOO]- 246.95906 140.0
[M+CH3COO]- 260.97471 186.1
[M+Na-2H]- 222.93553 127.7
[M]+ 201.96031 121.2
[M]- 201.96141 121.2
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