CID 86775520

1-methyl-3-[1-(trifluoromethyl)cyclopropyl]benzene

Structural Information

Molecular Formula
C11H11F3
SMILES
CC1=CC(=CC=C1)C2(CC2)C(F)(F)F
InChI
InChI=1S/C11H11F3/c1-8-3-2-4-9(7-8)10(5-6-10)11(12,13)14/h2-4,7H,5-6H2,1H3
InChIKey
XOBOETAELDPCPZ-UHFFFAOYSA-N
Compound name
1-methyl-3-[1-(trifluoromethyl)cyclopropyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

200.08128 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.08856 151.9
[M+Na]+ 223.07050 162.4
[M+NH4]+ 218.11510 160.2
[M+K]+ 239.04444 156.2
[M-H]- 199.07400 157.1
[M+Na-2H]- 221.05595 160.7
[M]+ 200.08073 155.9
[M]- 200.08183 155.9
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