CID 13625335

60903-84-6

Structural Information

Molecular Formula
C8H5ClF4
SMILES
CC1=C(C(=C(C(=C1F)F)CCl)F)F
InChI
InChI=1S/C8H5ClF4/c1-3-5(10)7(12)4(2-9)8(13)6(3)11/h2H2,1H3
InChIKey
IEKYTIJMIUKVMR-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-2,3,5,6-tetrafluoro-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

212.00159 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.00887 131.4
[M+Na]+ 234.99081 144.9
[M-H]- 210.99431 131.2
[M+NH4]+ 230.03541 152.3
[M+K]+ 250.96475 139.7
[M+H-H2O]+ 194.99885 124.3
[M+HCOO]- 256.99979 147.5
[M+CH3COO]- 271.01544 189.2
[M+Na-2H]- 232.97626 134.2
[M]+ 212.00104 130.2
[M]- 212.00214 130.2
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