CID 2736496

3-chloro-4,5-difluorobenzotrifluoride

Structural Information

Molecular Formula
C7H2ClF5
SMILES
C1=C(C=C(C(=C1F)F)Cl)C(F)(F)F
InChI
InChI=1S/C7H2ClF5/c8-4-1-3(7(11,12)13)2-5(9)6(4)10/h1-2H
InChIKey
RZMVFJHGONCXQR-UHFFFAOYSA-N
Compound name
1-chloro-2,3-difluoro-5-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

210
Patents

215.97652 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.98380 150.1
[M+Na]+ 238.96574 158.6
[M+NH4]+ 234.01034 154.7
[M+K]+ 254.93968 153.1
[M-H]- 214.96924 145.5
[M+Na-2H]- 236.95119 153.0
[M]+ 215.97597 150.0
[M]- 215.97707 150.0
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