CID 2783355

158364-83-1

Structural Information

Molecular Formula
C8H6F4
SMILES
CC1=CC(=C(C=C1)C(F)(F)F)F
InChI
InChI=1S/C8H6F4/c1-5-2-3-6(7(9)4-5)8(10,11)12/h2-4H,1H3
InChIKey
GWWHXSLLCSBGRO-UHFFFAOYSA-N
Compound name
2-fluoro-4-methyl-1-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

781
Patents

178.04056 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.04784 129.0
[M+Na]+ 201.02978 139.5
[M-H]- 177.03328 128.3
[M+NH4]+ 196.07438 149.7
[M+K]+ 217.00372 136.6
[M+H-H2O]+ 161.03782 121.0
[M+HCOO]- 223.03876 148.0
[M+CH3COO]- 237.05441 181.6
[M+Na-2H]- 199.01523 134.7
[M]+ 178.04001 123.9
[M]- 178.04111 123.9
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