CID 2736619

2-chloro-4-methylbenzotrifluoride

Structural Information

Molecular Formula
C8H6ClF3
SMILES
CC1=CC(=C(C=C1)C(F)(F)F)Cl
InChI
InChI=1S/C8H6ClF3/c1-5-2-3-6(7(9)4-5)8(10,11)12/h2-4H,1H3
InChIKey
OHDYNLHQHOFWGR-UHFFFAOYSA-N
Compound name
2-chloro-4-methyl-1-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

317
Patents

194.01102 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.01830 139.0
[M+Na]+ 217.00024 150.4
[M+NH4]+ 212.04484 146.2
[M+K]+ 232.97418 143.9
[M-H]- 193.00374 137.1
[M+Na-2H]- 214.98569 144.6
[M]+ 194.01047 140.3
[M]- 194.01157 140.3
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