CID 2775630

225656-63-3

Structural Information

Molecular Formula
C9H8ClF3
SMILES
CC1=C(C=C(C=C1)C(F)(F)F)CCl
InChI
InChI=1S/C9H8ClF3/c1-6-2-3-8(9(11,12)13)4-7(6)5-10/h2-4H,5H2,1H3
InChIKey
ZUZJZUFMXLLABC-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-1-methyl-4-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

208.02666 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.033936 136.1
[M+Na]+ 231.015878 146.9
[M-H]- 207.019384 136.4
[M+NH4]+ 226.060483 156.6
[M+K]+ 246.989818 142.2
[M+H-H2O]+ 191.023920 129.5
[M+HCOO]- 253.024861 151.4
[M+CH3COO]- 267.040511 185.5
[M+Na-2H]- 229.001326 141.5
[M]+ 208.02611142 134.7
[M]- 208.02720858 134.7
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