CID 3055113

Benzene, chloro-4-(chlorotetrafluoroethyl)-1-(trifluoromethyl)-

Structural Information

Molecular Formula
C9H3Cl2F7
SMILES
C1=CC(=C(C=C1C(F)(F)F)Cl)C(C(F)(F)Cl)(F)F
InChI
InChI=1S/C9H3Cl2F7/c10-6-3-4(8(14,15)16)1-2-5(6)7(12,13)9(11,17)18/h1-3H
InChIKey
RPLAIIXJNIVGAE-UHFFFAOYSA-N
Compound name
2-chloro-1-(2-chloro-1,1,2,2-tetrafluoroethyl)-4-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

313.95 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.95728 150.6
[M+Na]+ 336.93922 162.6
[M-H]- 312.94272 145.7
[M+NH4]+ 331.98382 166.7
[M+K]+ 352.91316 155.5
[M+H-H2O]+ 296.94726 141.5
[M+HCOO]- 358.94820 153.7
[M+CH3COO]- 372.96385 202.5
[M+Na-2H]- 334.92467 154.5
[M]+ 313.94945 144.3
[M]- 313.95055 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