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

11
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 134.1
[M+Na]+ 223.07050 144.6
[M-H]- 199.07400 138.4
[M+NH4]+ 218.11510 150.6
[M+K]+ 239.04444 141.8
[M+H-H2O]+ 183.07854 126.2
[M+HCOO]- 245.07948 153.7
[M+CH3COO]- 259.09513 187.8
[M+Na-2H]- 221.05595 141.3
[M]+ 200.08073 132.6
[M]- 200.08183 132.6
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