CID 22057749

800381-60-6

Structural Information

Molecular Formula
C14H16BrF3
SMILES
C1CCC(CC1)C2=C(C=C(C=C2)CBr)C(F)(F)F
InChI
InChI=1S/C14H16BrF3/c15-9-10-6-7-12(11-4-2-1-3-5-11)13(8-10)14(16,17)18/h6-8,11H,1-5,9H2
InChIKey
ZPIIIWNFODYJJO-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-1-cyclohexyl-2-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

320.03876 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.04604 170.9
[M+Na]+ 343.02798 180.0
[M-H]- 319.03148 175.4
[M+NH4]+ 338.07258 188.9
[M+K]+ 359.00192 167.4
[M+H-H2O]+ 303.03602 168.1
[M+HCOO]- 365.03696 184.0
[M+CH3COO]- 379.05261 202.4
[M+Na-2H]- 341.01343 173.6
[M]+ 320.03821 181.4
[M]- 320.03931 181.4
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